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Section Board for 'Physical Chemistry' (76)
Please see the section webpage for more information on this section.
Kobenhavns Universitet, Department of Pharmacy, Copenhagen, Denmark
Interests: biophysical characterization of nano-self-assemblies, cubosomes, hexosomes; nanodispersions of inverse non-lamellar liquid crystalline phases; drug and functional food soft self-assembled nanocarriers; lyotropic liquid crystalline phases; microemulsions
Special Issues and Collections in MDPI journals
Interests: biophysical characterization of nano-self-assemblies, cubosomes, hexosomes; nanodispersions of inverse non-lamellar liquid crystalline phases; drug and functional food soft self-assembled nanocarriers; lyotropic liquid crystalline phases; microemulsions
Special Issues and Collections in MDPI journals
Department of Chemistry, Fudan University, No. 220, Handan Rd., Shanghai 200433, China
Interests: infrared spectroscopy; matrix isolation; reaction intermediates; free radicals; reaction mechanisms; infrared photodissociation spectroscopy; atomic and molecular clusters; donor-acceptor bonding; metal–metal bonding; computational chemistry
Special Issues and Collections in MDPI journals
Interests: infrared spectroscopy; matrix isolation; reaction intermediates; free radicals; reaction mechanisms; infrared photodissociation spectroscopy; atomic and molecular clusters; donor-acceptor bonding; metal–metal bonding; computational chemistry
Special Issues and Collections in MDPI journals
Dipartimento di Chimica, Materiali ed Ingegneria Chimica “G. Natta”, Politecnico di Milano, via L. Mancinelli 7, 20131 Milano, Italy
Interests: statistical thermodynamics of polymers; polymer conformations and dynamics; branched polymers and dendrimers; molecular dynamics simulations; protein adsorption on biomaterials and nanomaterials; modeling of surface physisorption; molecular recognition with host-guest complexes
Special Issues and Collections in MDPI journals
Interests: statistical thermodynamics of polymers; polymer conformations and dynamics; branched polymers and dendrimers; molecular dynamics simulations; protein adsorption on biomaterials and nanomaterials; modeling of surface physisorption; molecular recognition with host-guest complexes
Special Issues and Collections in MDPI journals
Special Issue in
Polymers: Topology Effects on Polymer Properties
Departamento de Química Física, Universidad de Valencia, 46100 Burjassot, Spain
Interests: qm/mm simulations; reaction dynamics; enzymatic catalysis; computational biochemistry; free energy calculations
Special Issues and Collections in MDPI journals
Interests: qm/mm simulations; reaction dynamics; enzymatic catalysis; computational biochemistry; free energy calculations
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: DNA Damage and Repair
MIFT Department, University of Messina, Viale F. Stagno D'Alcontres 31, 98166 Messina, Italy
Interests: NMR spectroscopy; physics of complex systems; aqueous systems; dynamical arrest; protein folding/unfolding; cellulose degradation; metabolomics
Special Issues and Collections in MDPI journals
Interests: NMR spectroscopy; physics of complex systems; aqueous systems; dynamical arrest; protein folding/unfolding; cellulose degradation; metabolomics
Special Issues and Collections in MDPI journals
Special Issue in
International Journal of Molecular Sciences: Nuclear Magnetic Resonance Studies of Molecular Structure and Dynamics
Special Issue in Molecules: Physical Chemistry of Aqueous Solutions and Glass Forming Systems
Special Issue in International Journal of Molecular Sciences: Molecular Structure and Dynamics Probed by Spectroscopic Techniques and Computational Approaches: New Trends by NMR, FTIR, Neutron Scattering and Simulation
Special Issue in Molecules: Hybrid Compounds Tailoring at the Nanoscale for Biomedical Applications
Special Issue in Chemistry: Hybrid Compounds Tailoring at the Nanoscale for Biomedical Applications
Special Issue in Molecules: Physical Chemistry of Aqueous Solutions and Glass Forming Systems
Special Issue in International Journal of Molecular Sciences: Molecular Structure and Dynamics Probed by Spectroscopic Techniques and Computational Approaches: New Trends by NMR, FTIR, Neutron Scattering and Simulation
Special Issue in Molecules: Hybrid Compounds Tailoring at the Nanoscale for Biomedical Applications
Special Issue in Chemistry: Hybrid Compounds Tailoring at the Nanoscale for Biomedical Applications
Department of Chemistry, University of North Dakota, Grand Forks, Grand Forks, ND 58202-9024, USA
Interests: electronic structure theory; multireference perturbation theory; embedding; excited electronic states; strong correlation
Special Issues and Collections in MDPI journals
Interests: electronic structure theory; multireference perturbation theory; embedding; excited electronic states; strong correlation
Special Issues and Collections in MDPI journals
Department of Chemistry, University of Florence, Sesto Fiorentino, Italy
Interests: physical chemistry; supramolecular chemistry; specific ion effects; soft matter; complex fluids; nanoscience and nanotechnology; formulations; gels; molecular liquids
Interests: physical chemistry; supramolecular chemistry; specific ion effects; soft matter; complex fluids; nanoscience and nanotechnology; formulations; gels; molecular liquids
Faculty of Health Sciences, University of Ljubljana, Ljubljana 1000, Slovenia
Interests: electrostatics and statistical physics of biological macromolecules and membranes; charge determination of nanoparticles; microbial adhesion to material surfaces; separation chemistry
Special Issues and Collections in MDPI journals
Interests: electrostatics and statistical physics of biological macromolecules and membranes; charge determination of nanoparticles; microbial adhesion to material surfaces; separation chemistry
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Nanoparticle Surface Charge: Theoretical and Experimental Study
Special Issue in Molecules: Charged Spherical Nanoparticles in the Vicinity of Charged Surfaces
Special Issue in Coatings: Polyelectrolyte Multilayer Coatings
Special Issue in Molecules: Charged Spherical Nanoparticles in the Vicinity of Charged Surfaces
Special Issue in Coatings: Polyelectrolyte Multilayer Coatings
Department of Chemistry and Laboratory of Advanced Materials, Fudan University, Shanghai, 200438, China
Interests: electrocatalysis; renewable energy; CO2 reduction; N2 reduction
Interests: electrocatalysis; renewable energy; CO2 reduction; N2 reduction
Dipartimento di Chimica “G. Ciamician”, Università di Bologna, 40126 Bologna, Italy
Interests: supramolecular chemistry; photochemistry; molecular machines; photochromic systems
Interests: supramolecular chemistry; photochemistry; molecular machines; photochromic systems
School of Pharmacy and Biomedical Sciences, Curtin Health Innovation Research Institute and Curtin Institute for Computation, Curtin University, Perth WA 6845, Australia
Interests: computational biophysics; computational chemistry; structural bioinformatics
Special Issues and Collections in MDPI journals
Interests: computational biophysics; computational chemistry; structural bioinformatics
Special Issues and Collections in MDPI journals
University of Lorraine and CNRS, Theoretical Physics and Theoretical Chemistry Laboratory (LPCT), Nancy, France
Interests: molecular modeling and simulation; theoretical photophysics and photochemistry; time resolved spectroscopy; non-adiabatic phenomena; structural biophysics; DNA photosensitization; DNA lesions and repair mechanism; epigenetic regulations
Special Issues and Collections in MDPI journals
Interests: molecular modeling and simulation; theoretical photophysics and photochemistry; time resolved spectroscopy; non-adiabatic phenomena; structural biophysics; DNA photosensitization; DNA lesions and repair mechanism; epigenetic regulations
Special Issues and Collections in MDPI journals
Chemical Engineering and Materials Science, Soochow University, Suzhou, China
Interests: reactive intermediates; vibrational spectra; photochemistry; matrix isolation; energetic materials; reaction kinetics; atmospheric chemistry; astrochemistry; computational chemistry; molecular structure and conformation; quantum mechanical tunneling
Special Issues and Collections in MDPI journals
Interests: reactive intermediates; vibrational spectra; photochemistry; matrix isolation; energetic materials; reaction kinetics; atmospheric chemistry; astrochemistry; computational chemistry; molecular structure and conformation; quantum mechanical tunneling
Special Issues and Collections in MDPI journals
Department of Materials Science and Engineering, City University of Hong Kong, Hong Kong SAR, China
Interests: luminescent transition metal complexes; boron compounds; organic light emitting diodes
Interests: luminescent transition metal complexes; boron compounds; organic light emitting diodes
Department of Chemistry, Renmin University of China, Beijing 100872, China
Interests: ultrafast spectroscopy; photovoltaics; semiconductor nanocrystals; photocatalysis; nonlinear optics; optical imaging
Interests: ultrafast spectroscopy; photovoltaics; semiconductor nanocrystals; photocatalysis; nonlinear optics; optical imaging
Department of Chemistry & Physics, Mount Saint Vincent University, 166 Bedford Hwy, Halifax, NS B3M 2J6, Canada
Interests: theoretical chemistry and biochemistry; electronic structure; mitochondrial biophysics; theoretical biophysics
Special Issues and Collections in MDPI journals
Interests: theoretical chemistry and biochemistry; electronic structure; mitochondrial biophysics; theoretical biophysics
Special Issues and Collections in MDPI journals
Special Issue in
Entropy: Information-Theoretic Approaches to Atoms-in-Molecules
Department of Chemistry, Renmin University of China (RUC), Beijing, China
Interests: photosynthesis; antioxidation; photovoltaics; pigments; free radicals; chemical reaction dynamics; excitation energy transfer; charge transfer; molecular spectroscopy; time resolved spectroscopy
Interests: photosynthesis; antioxidation; photovoltaics; pigments; free radicals; chemical reaction dynamics; excitation energy transfer; charge transfer; molecular spectroscopy; time resolved spectroscopy
Dipartimento di Matematica e Fisica, Universita` degli Studi Roma Tre Via della Vasca Navale 84, I-00146 Roma, Italy
Interests: relaxation processes in complex liquids; structure and thermodynamics of liquids confined and under extreme conditions; water under extreme conditions (confined, supercooled, under pressure, supercritical); aqueous solutions, Molecular Dynamics and Monte Carlo methods,; slow dynamics and glass transition, cryopreservation
Interests: relaxation processes in complex liquids; structure and thermodynamics of liquids confined and under extreme conditions; water under extreme conditions (confined, supercooled, under pressure, supercritical); aqueous solutions, Molecular Dynamics and Monte Carlo methods,; slow dynamics and glass transition, cryopreservation
Department of Chemistry, Northeastern University, Shenyang, China
Interests: supercapacitor; pseudocapacitive materials; electrodeposition
Interests: supercapacitor; pseudocapacitive materials; electrodeposition
College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing, China
Interests: photocatalysis; solar energy conversion; water splitting; hydrogen evolution reaction; CO2 reduction; 2D nanomaterials
Interests: photocatalysis; solar energy conversion; water splitting; hydrogen evolution reaction; CO2 reduction; 2D nanomaterials
Department of Chemistry, University at Buffalo, State University of New York, Buffalo, NY, USA
Interests: theoretical/computational chemistry
Interests: theoretical/computational chemistry
Department of Physics, Budapest University of Technology and Economics, H-1111, Budafoki út 8, Budapest, Hungary
Interests: nanoparticles and metal-organic frameworks; self-organization and self-assembly in chemical systems; pattern formation; reaction-diffusion systems
Interests: nanoparticles and metal-organic frameworks; self-organization and self-assembly in chemical systems; pattern formation; reaction-diffusion systems
Faculty of Chemistry, Opole University, Opole, Poland
Interests: NMR; IR; Raman; physical chemistry; molecular modeling; ab initio; DFT
Special Issues and Collections in MDPI journals
Interests: NMR; IR; Raman; physical chemistry; molecular modeling; ab initio; DFT
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Molecular Modeling: Advancements and Applications
Special Issue in Molecules: Featured Reviews in Applied Chemistry
Special Issue in Molecules: Featured Reviews in Applied Chemistry
Institute for Computation in Molecular and Materials Science, School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China
Interests: physical chemistry; computational quantum chemistry; molecular dynamics simulation; computational energetic materials science; molecular design of high energy density compounds
Special Issues and Collections in MDPI journals
Interests: physical chemistry; computational quantum chemistry; molecular dynamics simulation; computational energetic materials science; molecular design of high energy density compounds
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Promising High-Energy-Density Materials
Center for Computational Quantum Chemistry, University of Georgia, Athens, GA, USA
Interests: physical chemistry; computational/theoretical chemistry
Interests: physical chemistry; computational/theoretical chemistry
Department of Chemistry and Drug Technology, University of Rome “La Sapienza”, 00185 Rome, Italy
Interests: atomic and molecular spectroscopy; electronic structure; synchrotron radiation; free electron laser; molecular chirality; ARPES; XPS; XAS; NEXAFS; TPES; TPEPICO; PECD; 3D TOF ion imaging; free radicals; shot-lived species; MW plasmas; jet sources
Interests: atomic and molecular spectroscopy; electronic structure; synchrotron radiation; free electron laser; molecular chirality; ARPES; XPS; XAS; NEXAFS; TPES; TPEPICO; PECD; 3D TOF ion imaging; free radicals; shot-lived species; MW plasmas; jet sources
Department of Chemistry and Biochemistry, Wilfrid Laurier University, Waterloo, Canada
Interests: nanoparticle synthesis; plasmonic nanoparticles; polymer; colloids; photochemistry; electrochemistry
Special Issues and Collections in MDPI journals
Interests: nanoparticle synthesis; plasmonic nanoparticles; polymer; colloids; photochemistry; electrochemistry
Special Issues and Collections in MDPI journals
Institute of Chemistry and Casali Center of Applied Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, 91904 Jerusalem, Israel
Interests: nanochemistry; sol-gel chemistry; organometallic chemistry; catalysis; green chemistry; micro- and nanoencapsulation
Special Issues and Collections in MDPI journals
Interests: nanochemistry; sol-gel chemistry; organometallic chemistry; catalysis; green chemistry; micro- and nanoencapsulation
Special Issues and Collections in MDPI journals
Special Issue in
Applied Sciences: Magnetic Nanoparticles: Synthesis, Properties and Applications
Special Issue in Applied Sciences: Bridging Homogeneous and Heterogeneous Catalysis
Special Issue in Applied Sciences: Magnetic Nanoparticles: Novel Synthesis Methods and Applications
Special Issue in Applied Sciences: Mesoporous Silica and Organosilica Materials: Synthesis, Properties and Applications
Special Issue in Applied Sciences: Bridging Homogeneous and Heterogeneous Catalysis
Special Issue in Applied Sciences: Magnetic Nanoparticles: Novel Synthesis Methods and Applications
Special Issue in Applied Sciences: Mesoporous Silica and Organosilica Materials: Synthesis, Properties and Applications
College of Chemistry, Beijing Normal University, Beijing, China
Interests: theoretical chemistry; computational chemistry; photochemistry; photobiology; chemical structure; spectroscopy; dynamics
Interests: theoretical chemistry; computational chemistry; photochemistry; photobiology; chemical structure; spectroscopy; dynamics
Department of Biomedical Science and Biofilms – Research Center for Biointerfaces, Malmö University, Malmö, Sweden
Interests: lipid; lipid-protein interactions; biomembranes; self-assembly; neutron scattering; QCM-D; AFM; ellipsometry
Interests: lipid; lipid-protein interactions; biomembranes; self-assembly; neutron scattering; QCM-D; AFM; ellipsometry
Faculty of Marine Sciences, Department of Seafood Processing, Tarbiat Modares University, Noor, Iran
Interests: nano-delivery of bioactive compounds; nano-functional foods; synthesis and characterization of nanomaterials; lipid nanoparticles; nanoemulsions
Interests: nano-delivery of bioactive compounds; nano-functional foods; synthesis and characterization of nanomaterials; lipid nanoparticles; nanoemulsions
INL—International Iberian Nanotechnology Laboratory, Av. Mestre José Veiga, 4715-310 Braga, Portugal
Interests: gene delivery; lipid-nucleic acid nanoassemblies; surfactant and lipid self-assembly; phase behaviour of therapeutically relevant materials; microfluidics; small-angle scattering (SAXS and SANS); fluorescence cross-correlation spectroscopy; soft matter; nanomedicine; physical chemistry; colloidal science
Interests: gene delivery; lipid-nucleic acid nanoassemblies; surfactant and lipid self-assembly; phase behaviour of therapeutically relevant materials; microfluidics; small-angle scattering (SAXS and SANS); fluorescence cross-correlation spectroscopy; soft matter; nanomedicine; physical chemistry; colloidal science
Department of Civil and Environmental Engineering, University of Perugia, 06125 Perugia, Italy
Interests: reaction dynamics; combustion chemistry; astrochemistry; atmospheric chemistry; carbon dioxide methanation; plasma-assisted catalysis; plasma chemistry; environmental chemistry; electron spectroscopy; molecular beam technique; synchrotron radiation; coincidence techniques; mass spectrometry; penning ionization; intermolecular potentials; semiclassical models; molecular dications; ion-molecules reactions; ion imaging techniques
Interests: reaction dynamics; combustion chemistry; astrochemistry; atmospheric chemistry; carbon dioxide methanation; plasma-assisted catalysis; plasma chemistry; environmental chemistry; electron spectroscopy; molecular beam technique; synchrotron radiation; coincidence techniques; mass spectrometry; penning ionization; intermolecular potentials; semiclassical models; molecular dications; ion-molecules reactions; ion imaging techniques
Universidade do Porto, Porto, Portugal
Interests: Thermochemistry; Molecular energetics; Reactivity assessment; Structure-Energy-Reactivity relationships; Calorimetry; Bond energies
Special Issues and Collections in MDPI journals
Interests: Thermochemistry; Molecular energetics; Reactivity assessment; Structure-Energy-Reactivity relationships; Calorimetry; Bond energies
Special Issues and Collections in MDPI journals
Institute of Chemistry, Chinese Academy of Sciences, Zhongguancun, Beijing 100190, China
Interests: atmospheric chemistry; Aerosols; Kinetics; Spectroscopy; Environmental Catalysis
Interests: atmospheric chemistry; Aerosols; Kinetics; Spectroscopy; Environmental Catalysis
Physical Chemistry Area, Faculty of Sciences, University of Extremadura, Spain
Interests: computational chemistry; reaction kinetics and dynamics; gas-phase reactivity; solvation; solvent effects; reactions in solution
Interests: computational chemistry; reaction kinetics and dynamics; gas-phase reactivity; solvation; solvent effects; reactions in solution
RMIT University, College of Science, Engineering and Health, Melbourne, Australia
Interests: Ionic liquids; protic ionic liquids; self-assembly; SAXS; liquid crystals; high throughput;
Special Issues and Collections in MDPI journals
Interests: Ionic liquids; protic ionic liquids; self-assembly; SAXS; liquid crystals; high throughput;
Special Issues and Collections in MDPI journals
Department of Chemistry, Faculty of Science, University of Zagreb, Zagreb, Croatia
Interests: Physical supramolecular chemistry; Thermodynamics and kinetics of coordination reactions; Solvation phenomena; Electrolyte solutions; Chemometrics
Special Issues and Collections in MDPI journals
Interests: Physical supramolecular chemistry; Thermodynamics and kinetics of coordination reactions; Solvation phenomena; Electrolyte solutions; Chemometrics
Special Issues and Collections in MDPI journals
Drug Delivery and Biophysics of Biopharamaceuticals, Faculty of Health and Medical Sciences, University of Copenhagen, Denmark
Interests: Biological soft matter; Protein and Lipid biomaterials; X-ray scattering; Liquid Crystals; Protein aggregation; Enzyme activity and kinetics; Nanoconfinement; Crystallization; Drug-delivery and diagnostics
Special Issues and Collections in MDPI journals
Interests: Biological soft matter; Protein and Lipid biomaterials; X-ray scattering; Liquid Crystals; Protein aggregation; Enzyme activity and kinetics; Nanoconfinement; Crystallization; Drug-delivery and diagnostics
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Supramolecular Hydrogels: From Design to Applications
Department of Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, United States
Interests: chemical kinetics and thermodynamics; plasma chemistry; nanoparticles from supercritical solutions; luminescent probes; laser chemistry
Interests: chemical kinetics and thermodynamics; plasma chemistry; nanoparticles from supercritical solutions; luminescent probes; laser chemistry
Department of Physical Chemistry and Inorganic Chemistry, University of Valladolid, E-47011 Valladolid, Spain
Interests: molecular spectroscopy; rotational spectra; physical chemistry; hydrogen bonding; laser ablation; supersonic jets; molecular complexes; microsolvation; biomolecules; quantum mechanics
Interests: molecular spectroscopy; rotational spectra; physical chemistry; hydrogen bonding; laser ablation; supersonic jets; molecular complexes; microsolvation; biomolecules; quantum mechanics
School of Mathematics and Physics, University of Lincoln, Brayford Pool, Lincoln LN6 7TS, UK
Interests: molecular dynamics simulations; computer simulations; peptide and protein dynamics; folding; peptide stability in non-aqueous solvent; molecular docking methods; parallel computing; force field of small molecules; properties of ions and small molecules in solutions; simulation of inorganic compounds; statistical mechanics; XANES and EXAFS spectroscopy; FRET and time-resolved spectroscopy of biological molecules; nanomaterial (CNT, nanoparticles, graphene); the interaction of polymers with biomolecules
Interests: molecular dynamics simulations; computer simulations; peptide and protein dynamics; folding; peptide stability in non-aqueous solvent; molecular docking methods; parallel computing; force field of small molecules; properties of ions and small molecules in solutions; simulation of inorganic compounds; statistical mechanics; XANES and EXAFS spectroscopy; FRET and time-resolved spectroscopy of biological molecules; nanomaterial (CNT, nanoparticles, graphene); the interaction of polymers with biomolecules
Department of Materials and Environmental Chemistry, Stockholm University, SE 10691 Stockholm, Sweden
Interests: solid state NMR; disordered materials; oxide-based glasses; glass structure; bioactive glasses; biomineralization; molecular dynamics simulations; spin dynamics simulations; rf-pulse sequence design in magic-angle spinning NMR
Special Issues and Collections in MDPI journals
Interests: solid state NMR; disordered materials; oxide-based glasses; glass structure; bioactive glasses; biomineralization; molecular dynamics simulations; spin dynamics simulations; rf-pulse sequence design in magic-angle spinning NMR
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Solid-State NMR Spectroscopy in Materials Chemistry
Dipartimento di Farmacia, Università G. d'Annunzio Chieti-Pescara, Via Vestini 31, I-66100 Chieti, Italy
Interests: Prof. Cecilia Coletti is mainly devoted to the the-oretical investigation of molecular structure and dynamics starting from model systems, through systems of growing complexity, to macromolecules of biological and pharmaceu-tical
Special Issues and Collections in MDPI journals
Interests: Prof. Cecilia Coletti is mainly devoted to the the-oretical investigation of molecular structure and dynamics starting from model systems, through systems of growing complexity, to macromolecules of biological and pharmaceu-tical
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Feature Review Papers in Physical Chemistry
Université Côte d'Azur, Nice, France
Interests: Physical Organic Chemistry; Analytical Chemistry; Lewis basicity; Gas-phase basicity; Mass spectrometry; Ion/molecule reactions
Interests: Physical Organic Chemistry; Analytical Chemistry; Lewis basicity; Gas-phase basicity; Mass spectrometry; Ion/molecule reactions
CNR–SCITEC, Istituto di Scienze e Tecnologie Chimiche sezione di via Golgi, c/o Università degli Studi di Milano, Milano, Italy
Interests: Quantum Chemical Topological (QCT) methods and development of SW for their implementation for molecular and condensed phase systems and for ab-initio and X-ray derived electron densities; Development of new chemical bonding descriptors in real space, like the Source Function; extension of Non-Covalent Interactions Reduced Density Gradient approach to X-ray derived experimental electronic densities in crystals; development of QCT methods for spin polarized systems and for electron spin density topology; applications of QCT methods to material science (thermoelectric materials, phase change materials, lithium batteries, etc.); application of QCT methods to exotic bonding in systems under pressure; modern revisitation of Pauling's bond valence model and applications
Special Issues and Collections in MDPI journals
Interests: Quantum Chemical Topological (QCT) methods and development of SW for their implementation for molecular and condensed phase systems and for ab-initio and X-ray derived electron densities; Development of new chemical bonding descriptors in real space, like the Source Function; extension of Non-Covalent Interactions Reduced Density Gradient approach to X-ray derived experimental electronic densities in crystals; development of QCT methods for spin polarized systems and for electron spin density topology; applications of QCT methods to material science (thermoelectric materials, phase change materials, lithium batteries, etc.); application of QCT methods to exotic bonding in systems under pressure; modern revisitation of Pauling's bond valence model and applications
Special Issues and Collections in MDPI journals
Laboratory of Electrochemistry, Lublin University of Technology, Nadbystrzycka 38, 20-618 Lublin, Poland
Interests: adsorption; material characterization; nanomaterials; nanomaterials synthesis; electrical double layer; radiation and radionuclides; low-temperature ionic liquids
Interests: adsorption; material characterization; nanomaterials; nanomaterials synthesis; electrical double layer; radiation and radionuclides; low-temperature ionic liquids
Moscow Institute of Physics and Technology, Moscow, Russia
Interests: Colloidal plasma; Gas-discharge plasma; Cryogenic colloidal systems; Plasma medicine; Experimental technique
Special Issues and Collections in MDPI journals
Interests: Colloidal plasma; Gas-discharge plasma; Cryogenic colloidal systems; Plasma medicine; Experimental technique
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Active Colloidal Systems in Gas and Liquid
Special Issue in Colloids and Interfaces: Active Colloidal Systems in Gas and Liquid
Special Issue in Colloids and Interfaces: Active Colloidal Systems in Gas and Liquid
National Institute for Laser, Plasma and Radiation Physics, Laser Department, Magurele, Romania
Interests: laser physics and applications; photoacoustic spectroscopy sensing; optical spectroscopy; laser photoacoustic spectroscopy device development; oxidative stress and biomarkers; analysis of gases
Special Issues and Collections in MDPI journals
Interests: laser physics and applications; photoacoustic spectroscopy sensing; optical spectroscopy; laser photoacoustic spectroscopy device development; oxidative stress and biomarkers; analysis of gases
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Applications of Photoacoustic Spectroscopy
Special Issue in Foundations: Infrared Spectroscopy: Principles and Instrumentation
Special Issue in Materials: Advanced Materials for Remediation of Environmental Pollutants
Special Issue in Foundations: Infrared Spectroscopy: Principles and Instrumentation
Special Issue in Materials: Advanced Materials for Remediation of Environmental Pollutants
Department of Chemistry, King's College London, London, SE11DB, UK
Interests: non-covalent interactions; hydrogen bonding; structural and conformational determination; rotational spectroscopy; computational chemistry; molecular clusters
Special Issues and Collections in MDPI journals
Interests: non-covalent interactions; hydrogen bonding; structural and conformational determination; rotational spectroscopy; computational chemistry; molecular clusters
Special Issues and Collections in MDPI journals
Institute of Chemical Process Fundamentals, Czech Academy of Sciences, Rozvojová 135, 16502 Prague, Czech Republic
Interests: heteronuclear NMR spectroscopy; HPLC separation methods; structure elucidation; NMR metabolomics; X-ray structure analysis
Special Issues and Collections in MDPI journals
Interests: heteronuclear NMR spectroscopy; HPLC separation methods; structure elucidation; NMR metabolomics; X-ray structure analysis
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Intermolecular Interactions in Crystal Lattice
Institute of Physics of the Czech Academy of Sciences, Prague, Czech Republic
Interests: lipid polymorphism; lipid cubic phases; non-lamellar lipid phases; lipid nanoparticles; protein crystallization; kinetics of crystal growth; kinetics of phase transitions; liquid crystals; time resolved X-ray scattering (SAXS and WAXS); X-ray powder diffraction; pump-probe and stop-flow kinetics; membrane biophysics
Special Issues and Collections in MDPI journals
Interests: lipid polymorphism; lipid cubic phases; non-lamellar lipid phases; lipid nanoparticles; protein crystallization; kinetics of crystal growth; kinetics of phase transitions; liquid crystals; time resolved X-ray scattering (SAXS and WAXS); X-ray powder diffraction; pump-probe and stop-flow kinetics; membrane biophysics
Special Issues and Collections in MDPI journals
Special Issue in
Crystals: Lipid Membrane and Its Interaction with Nanomaterials
Mario Berberan e Santos Institute for Bioengineering and Biosciences (iBB) Instituto Superior Técnico 1049-001 Lisboa, Portugal
Interests: fluorescence and phosphorescence; molecular luminescence; optical sensing; TADF and OLEDs; fullerenes; carbon dots; supramolecular assemblies
Special Issues and Collections in MDPI journals
Interests: fluorescence and phosphorescence; molecular luminescence; optical sensing; TADF and OLEDs; fullerenes; carbon dots; supramolecular assemblies
Special Issues and Collections in MDPI journals
CNRS UMR 8612 "Institut Galien Paris-Sud", Paris-Sud 11 University, Paris-Saclay University, F-92296 Châtenay Malabry, France
Interests: lipid/protein nanoassemblies; liquid crystalline phases; cubosomes; self-assembled nanostructures and nanoparticles with neuroprotective properties; protein and peptide-based nanomedicines; nanocarriers for macromolecular drug delivery; membrane receptor nanoscale organization; lipids; peptides; BDNF; cyclodextrin; soft nanomaterials
Special Issues and Collections in MDPI journals
Interests: lipid/protein nanoassemblies; liquid crystalline phases; cubosomes; self-assembled nanostructures and nanoparticles with neuroprotective properties; protein and peptide-based nanomedicines; nanocarriers for macromolecular drug delivery; membrane receptor nanoscale organization; lipids; peptides; BDNF; cyclodextrin; soft nanomaterials
Special Issues and Collections in MDPI journals
Special Issue in
Nanomaterials: Nanoparticles in Neurology
Special Issue in Molecules: Advanced Self-Assembled Nanostructures
Special Issue in Nanomaterials: Progress in Pharmaceutical Applications of Lipid-Based Nanoparticles
Special Issue in Molecules: Women in Physical Chemistry
Special Issue in Nanomaterials: Self-Assembly, Synthetic and Biomimetic Nanostructures
Special Issue in Molecules: Advanced Self-Assembled Nanostructures
Special Issue in Nanomaterials: Progress in Pharmaceutical Applications of Lipid-Based Nanoparticles
Special Issue in Molecules: Women in Physical Chemistry
Special Issue in Nanomaterials: Self-Assembly, Synthetic and Biomimetic Nanostructures
Institute of Electronics Bulgarian Academy of Sciences 72 Tzarigradsko chaussee blvd., Sofia 1784, Bulgaria
Interests: tautomerism; proton transfer; hydrogen bonding; molecular switches; molecular sensors; dye chemistry; solvent effect; photo-, halo- and thermochromism; optical spectroscopy; computational chemistry; photochemistry
Special Issues and Collections in MDPI journals
Interests: tautomerism; proton transfer; hydrogen bonding; molecular switches; molecular sensors; dye chemistry; solvent effect; photo-, halo- and thermochromism; optical spectroscopy; computational chemistry; photochemistry
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Tautomerism and Proton Transfer Related Phenomena
Gas-Phase Biomolecules and Energetic Interactions, Zernike Institute for Advanced Materials, University of Groningen, 9747AG Groningen, The Netherlands
Interests: Gas-phase biomolecules; biomolecular radiation damage; astrochemistry; mass spectrometry; synchroton radiation; X-ray spectroscopy; proteins; DNA; PAHs
Interests: Gas-phase biomolecules; biomolecular radiation damage; astrochemistry; mass spectrometry; synchroton radiation; X-ray spectroscopy; proteins; DNA; PAHs
Dipartimento di Scienze Chimiche, Universita’ di Catania, Viale A. Doria 6, Italy
Interests: Protein Folding-Misfolding and Aggregation; Lyotropic Liquid crystals – model membrane. Methods: experimental and computer simulations.
Special Issues and Collections in MDPI journals
Interests: Protein Folding-Misfolding and Aggregation; Lyotropic Liquid crystals – model membrane. Methods: experimental and computer simulations.
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Cutting-Edge Physical Chemistry Research in Europe
Department of Chemical Engineering, Imperial College London, London, UK
Interests: Molecular simulation of fluids; equations of state; SAFT; Adsorption and interfacial properties; crude oils & shales; machine learning in physical property prediction
Special Issues and Collections in MDPI journals
Interests: Molecular simulation of fluids; equations of state; SAFT; Adsorption and interfacial properties; crude oils & shales; machine learning in physical property prediction
Special Issues and Collections in MDPI journals
Università degli Studi di Brescia, Brescia, Italy
Interests: Chiroptical spectroscopies; Vibrational Circular Dichroism; Raman Optical Activity; Electronic Circular Dichroism; Circularly Polarized Luminescence; Density Functional Theory; Molecular Dynamics
Interests: Chiroptical spectroscopies; Vibrational Circular Dichroism; Raman Optical Activity; Electronic Circular Dichroism; Circularly Polarized Luminescence; Density Functional Theory; Molecular Dynamics
Departamento de Química Física y Analítica, Julián Clavería, 6, Facultad de Química, Universidad de Oviedo, Spain
Interests: Chemical Bonding Theory; Quantum Chemical Topology; Simulation of materials; Matter at high pressure; Methods in Theoretical Chemistry
Special Issues and Collections in MDPI journals
Interests: Chemical Bonding Theory; Quantum Chemical Topology; Simulation of materials; Matter at high pressure; Methods in Theoretical Chemistry
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Advances in the Theory of Chemical Bonding
Department of Chemistry, University of North Texas, Denton, TX 76203, USA
Interests: Chemical and solution thermodynamics; solute transfer properties; phase equilibria
Interests: Chemical and solution thermodynamics; solute transfer properties; phase equilibria
Department of Chemistry, The University of Virginia, Charlottesville, VA 22904, USA
Interests: Electronic structure theory; Computational spectroscopy; Density functional theory; Reaction path modeling
Interests: Electronic structure theory; Computational spectroscopy; Density functional theory; Reaction path modeling
Dipartimento di Chimica "U.Schiff" and UdR INSTM, Università degli Studi di Firenze, Sesto Fiorentino, Italy
Interests: ab initio; DFT; modeling; magnetic clusters
Special Issues and Collections in MDPI journals
Interests: ab initio; DFT; modeling; magnetic clusters
Special Issues and Collections in MDPI journals
Special Issue in
Inorganics: Magnetic Lanthanide Complexes
Department of Food Engineering, University of Szeged, Moszkvai krt. 5-7, H-6725 Szeged, Hungary
Interests: aqueous colloids; adsorption; surface charging; colloidal stability; magnetic nanoparticles; clay minerals; oxides; polyelectrolytes; humic acids; soils
Interests: aqueous colloids; adsorption; surface charging; colloidal stability; magnetic nanoparticles; clay minerals; oxides; polyelectrolytes; humic acids; soils
Department of Chemistry, University of Coimbra, 3004-535, Coimbra, Portugal
Interests: physical chemistry; photochemistry; computational chemistry; infrared spectroscopy; matrix isolation; flash vacuum pyrolysis; reactive intermediates; quantum mechanical tunneling; vibrationally induced chemistry
Special Issues and Collections in MDPI journals
Interests: physical chemistry; photochemistry; computational chemistry; infrared spectroscopy; matrix isolation; flash vacuum pyrolysis; reactive intermediates; quantum mechanical tunneling; vibrationally induced chemistry
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Photochemical Reactions at Low Temperature
1. Instituto de Ciencia de Materiales de Aragón and Departamento de Física de la Materia Condensada,CSIC-Universidad de Zaragoza, E-50009 Zaragoza, Spain;
2. Centro Universitario de la Defensa, Carretera de Huesca s/n, E-50090 Zaragoza, Spain
Interests: nonlinear plasmonics; 2D metamaterials; condensed matter nanophotonics; numerical methods
2. Centro Universitario de la Defensa, Carretera de Huesca s/n, E-50090 Zaragoza, Spain
Interests: nonlinear plasmonics; 2D metamaterials; condensed matter nanophotonics; numerical methods
Dept. of Chemistry & Biochemistry, The Ohio State University, 100 W. 18th Ave. Columbus, OH 43210, USA
Interests: electronic structure theory; condensed-phase chemical physics; spectroscopy; software
Interests: electronic structure theory; condensed-phase chemical physics; spectroscopy; software
Institute of Crystallography, RWTH Aachen, Jägerstr. 17-19, 52066 Aachen, Germany
Interests: inorganic chemistry; functional materials; crystallography; Raman spectroscopy; infrared spectroscopy; phase transitions; high-pressure synthesis
Interests: inorganic chemistry; functional materials; crystallography; Raman spectroscopy; infrared spectroscopy; phase transitions; high-pressure synthesis
Department of Chemistry and Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, Texas 76203, USA
Interests: chemical kinetics; computational chemistry; combustion & atmospheric chemistry; short-lived intermediates
Interests: chemical kinetics; computational chemistry; combustion & atmospheric chemistry; short-lived intermediates
School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China
Interests: metal hydrides; hydrogen bridge bonding; matrix isolation; infrared spectroscopy; computational chemistry; Raman spectroscopy; hydrogen energy chemistry and materials; hydrogen evolution reaction
Special Issues and Collections in MDPI journals
Interests: metal hydrides; hydrogen bridge bonding; matrix isolation; infrared spectroscopy; computational chemistry; Raman spectroscopy; hydrogen energy chemistry and materials; hydrogen evolution reaction
Special Issues and Collections in MDPI journals
Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK
Interests: Biological molecules in the gas-phase; Gaseous ions; Laser Spectroscopy; Molecular Clusters; Photoionization spectroscopy; Computational Chemistry; Electron-molecule scattering; Molecular anions; Nucleobase Photophysics; Collision-induced dissociation; Photodegradation
Special Issues and Collections in MDPI journals
Interests: Biological molecules in the gas-phase; Gaseous ions; Laser Spectroscopy; Molecular Clusters; Photoionization spectroscopy; Computational Chemistry; Electron-molecule scattering; Molecular anions; Nucleobase Photophysics; Collision-induced dissociation; Photodegradation
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Women in Physical Chemistry
Special Issue in Molecules: Photoactive Biological Molecules
Special Issue in Molecules: Photoactive Biological Molecules
Department of Chemistry, Biology, and Biotechnology, University of Perugia, 06123 Perugia, Italy
Interests: the fuzziness of the molecular world; chemical artificial intelligence; complex systems; systems chemistry; natural computing; neuromorphic engineering; computing by molecules; fuzzy logic; binary logic; oscillating reactions; hydrodynamics; chaos
Special Issues and Collections in MDPI journals
Interests: the fuzziness of the molecular world; chemical artificial intelligence; complex systems; systems chemistry; natural computing; neuromorphic engineering; computing by molecules; fuzzy logic; binary logic; oscillating reactions; hydrodynamics; chaos
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: The Fuzziness in Molecular, Supramolecular, and Systems Chemistry
Special Issue in AI: AI in Drug Design
Special Issue in Molecules: Cutting-Edge Physical Chemistry Research in Europe
Special Issue in AI: AI in Drug Design
Special Issue in Molecules: Cutting-Edge Physical Chemistry Research in Europe
Theoretical and Computational Chemistry, Chemistry-School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne, NE1 7RU, UK
Interests: excited states; quantum dynamics; time-resolved spectroscopy; X-ray spectroscopy; nonadiabatic coupling; organic electronics
Interests: excited states; quantum dynamics; time-resolved spectroscopy; X-ray spectroscopy; nonadiabatic coupling; organic electronics
Department of Chemistry and Biochemistry, Utah State University, Logan, UT, USA
Interests: Noncovalent bonds with particular emphasis on H-bonds and proton transfers occurring within them, halogen, chalcogen, pnicogen, and tetrel bonds. The applications of these bonds to biochemical structure and function is of special interest.
Special Issues and Collections in MDPI journals
Interests: Noncovalent bonds with particular emphasis on H-bonds and proton transfers occurring within them, halogen, chalcogen, pnicogen, and tetrel bonds. The applications of these bonds to biochemical structure and function is of special interest.
Special Issues and Collections in MDPI journals
Special Issue in
Molecules: Intramolecular Hydrogen Bonding 2017
Special Issue in Molecules: Tetrel Bonds
Special Issue in Molecules: Spectroscopic Aspects of Noncovalent Interactions
Special Issue in Molecules: Tetrel Bonds
Special Issue in Molecules: Spectroscopic Aspects of Noncovalent Interactions
Physical Chemistry and Chemical Processes Laboratory, School of Environmental Engineering, TECHNICAL UNIVERSITY OF CRETE (TUC), 73100 Chania, Crete, Greece
Interests: physical chemistry; heterogeneous catalysis; environmental catalysis; catalyst promotion; chemical reaction engineering and thermodynamics; surfaces and interfaces; electrochemistry; fuel cells; nanomaterials and nanotechnology
Special Issues and Collections in MDPI journals
Interests: physical chemistry; heterogeneous catalysis; environmental catalysis; catalyst promotion; chemical reaction engineering and thermodynamics; surfaces and interfaces; electrochemistry; fuel cells; nanomaterials and nanotechnology
Special Issues and Collections in MDPI journals
Special Issue in
Catalysts: Emissions Control Catalysis
Special Issue in Nanomaterials: Advances in Heterocatalysis by Nanomaterials
Special Issue in Catalysts: Nanomaterials in Catalysis Applications
Special Issue in Catalysts: Noble Metal Catalysts
Special Issue in Nanomaterials: 10th Anniversary of Nanomaterials—Recent Advances in Environmental Nanoscience and Nanotechnology
Special Issue in Nanomaterials: Advances in Heterocatalysis by Nanomaterials
Special Issue in Catalysts: Nanomaterials in Catalysis Applications
Special Issue in Catalysts: Noble Metal Catalysts
Special Issue in Nanomaterials: 10th Anniversary of Nanomaterials—Recent Advances in Environmental Nanoscience and Nanotechnology
Department of Chemistry and Institute of Soft Matter, Georgetown University, Washington DC 20057-1227, USA
Interests: conducting polymers; electronic structure; fullerenes and carbon nanotubes; aromaticity; high pressure effects in organics; vibrational spectra; carbon phases; pi-stacking; unusual pi-conjugation
Special Issues and Collections in MDPI journals
Interests: conducting polymers; electronic structure; fullerenes and carbon nanotubes; aromaticity; high pressure effects in organics; vibrational spectra; carbon phases; pi-stacking; unusual pi-conjugation
Special Issues and Collections in MDPI journals
