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Molecules — Section Editors

Section Board for 'Physical Chemistry' (24)

Please see the section webpage for more information on this section.

Prof. Dr. Mingfei Zhou Section Editor-in-Chief Department of Chemistry, Fudan University, No. 220, Handan Rd., Shanghai 200433, China Tel. +86-21-31249139 Website \| E-Mail 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: Special Issue in Molecules: Selected Papers from the 2nd International Symposium on New Molecules and Clusters
Prof. Iñaki Tuñón Departament de Química Física, Universitat de València, 46100 Burjassot, Spain Website \| E-Mail Interests: molecular simulations of chemical reactions; transition state theory; enzyme catalysis; molecular dynamics; QM/MM methods; reactions in solution
Dr. Carmelo Corsaro MIFT Department, University of Messina, Viale F. Stagno D'Alcontres 31, 98166 Messina, Italy Website \| E-Mail 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 Molecules: Physical Chemistry of Aqueous Solutions and Glass Forming Systems
Prof. Dr. Mark R. Hoffmann Department of Chemistry, University of North Dakota, Grand Forks, Grand Forks, ND 58202-9024, USA Website \| E-Mail Interests: electronic structure theory; multireference perturbation theory; embedding; excited electronic states; strong correlation Special Issues and Collections in MDPI journals: Special Issue in Computation: Novel Algorithms/High Performance Computing Arising in Molecular Electronic Structure Theory Special Issue in Molecules: Electronic Structure Theory of Molecules at Interfaces
Prof. Pierandrea Lo Nostro Department of Chemistry, University of Florence, Sesto Fiorentino, Italy Website \| E-Mail Interests: physical chemistry; supramolecular chemistry; specific ion effects; soft matter; complex fluids; nanoscience and nanotechnology; formulations; gels; molecular liquids
Dr. Klemen Bohinc Faculty of Health Sciences, University of Ljubljana, Ljubljana 1000, Slovenia Website \| E-Mail 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
Prof. Gengfeng Zheng Department of Chemistry and Laboratory of Advanced Materials, Fudan University, Shanghai, 200438, China Website \| E-Mail Interests: electrocatalysis; renewable energy; CO2 reduction; N2 reduction
Dr. Serena Silvi Dipartimento di Chimica “G. Ciamician”, Università di Bologna, 40126 Bologna, Italy Website \| E-Mail Interests: supramolecular chemistry; photochemistry; molecular machines; photochromic systems
Prof. Dr. Ricardo L. Mancera School of Pharmacy and Biomedical Sciences, Curtin Health Innovation Research Institute and Curtin Institute for Computation, Curtin University, Perth WA 6845, Australia Website \| E-Mail Interests: Protein folding and aggregation; cell membrane structure and interactions; macromolecular aggregates; ligand-protein and protein-protein interactions; protein hydration; aqueous solutions Special Issues and Collections in MDPI journals: Special Issue in Molecules: Molecular Simulation of Protein Structure, Dynamics and Interactions
Dr. Antonio Monari University of Lorraine and CNRS, Theoretical Physics and Theoretical Chemistry Laboratory (LPCT), Nancy, France Website \| E-Mail Interests: molecular modeling and simulation; theoretical photophysics and photochemistry; time resolved spectroscopy; non-adiabatic phenomena; QM/MM methods; DNA photosensitization; DNA lesion repair mechanisms Special Issues and Collections in MDPI journals: Special Issue in Molecules: Multiscale Chemical Modeling and Simulations Using Quantum Mechanics/Molecular Mechanics (QM/MM)
Prof. Dr. Xiaoqing Zeng Chemical Engineering and Materials Science, Soochow University, Suzhou, China Website \| E-Mail 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: Special Issue in Molecules: Selected Papers from the 2nd International Symposium on New Molecules and Clusters Special Issue in Molecules: Main-Group Small Molecules: Structure and Reactivity
Prof. Etelka Tombácz Department of Food Engineering, University of Szeged, Moszkvai krt. 5-7, H-6725 Szeged, Hungary Website \| E-Mail Interests: aqueous colloids; adsorption; surface charging; colloidal stability; magnetic nanoparticles; clay minerals; oxides; polyelectrolytes; humic acids; soils
Dr. Igor Reva Department of Chemistry, University of Coimbra, 3004-535, Coimbra, Portugal Website \| E-Mail 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 Topical Collection in Molecules: Molecular Structure
Dr. Sergio G Rodrigo 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 Website \| E-Mail Interests: nonlinear plasmonics; 2D metamaterials; condensed matter nanophotonics; numerical methods
Prof. Dr. John M. Herbert Dept. of Chemistry & Biochemistry, The Ohio State University, 100 W. 18th Ave. Columbus, OH 43210, USA Website \| E-Mail Interests: electronic structure theory; condensed-phase chemical physics; spectroscopy; software
Dr. Andrzej Grzechnik Institute of Crystallography, RWTH Aachen, Jägerstr. 17-19, 52066 Aachen, Germany Website \| E-Mail Interests: inorganic chemistry; functional materials; crystallography; Raman spectroscopy; infrared spectroscopy; phase transitions; high-pressure synthesis
Prof. Paul Marshall Department of Chemistry and Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, Texas 76203, USA Website \| E-Mail Interests: chemical kinetics; computational chemistry; combustion & atmospheric chemistry; short-lived intermediates
Prof. Dr. Xuefeng Wang School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China Website \| E-Mail 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: Special Issue in Molecules: Matrix Infrared Spectra and Molecular Structures of Reactive Intermediates Topical Collection in Molecules: Molecular Structure
Dr. Caroline Dessent Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK Tel. +44-1904-324092 Website 1 \| Website 2 \| E-Mail 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
Dr. Pier Luigi Gentili Department of Chemistry, Biology, and Biotechnology; University of Perugia, 06123 Perugia, Italy Tel. (+39) 075-585-5573 Website \| E-Mail 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
Dr. Tom Penfold Theoretical and Computational Chemistry, Chemistry-School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne, NE1 7RU, United Kingdom Tel. 0044-(0)-191-2086924; Fax: 0044-(0)-191-2086924 Website \| E-Mail Interests: excited states; quantum dynamics; time-resolved spectroscopy; X-ray spectroscopy; nonadiabatic coupling; organic electronics
Prof. Dr. Steve Scheiner Department of Chemistry and Biochemistry, Utah State University, Logan, UT, USA Website \| E-Mail Interests: noncovalent forces; H-bonds; computational chemistry Special Issues and Collections in MDPI journals: Special Issue in Molecules: Intramolecular Hydrogen Bonding 2017 Special Issue in Molecules: Tetrel Bonds
Prof. Dr. Ioannis V. Yentekakis Technical University of Crete (Polytechnion Kritis), Laboratory of Physical Chemistry and Chemical Processes, Chania, Crete, Greece Tel. +30-28210-37752 Website 1 \| Website 2 \| E-Mail Interests: Nano-structured Catalytic Materials; Nanocatalysis; Environmental Catalysis; Electrocatalysis and Fuel Cells; Advanced Energy Materials; Catalysts sintering and re-dispersion; CO2 Management and Utilization; Biogas and Natural Gas Management and Utilization; H2-energy; Renewable and Sustainable Energy Special Issues and Collections in MDPI journals: Special Issue in Catalysts: Emissions Control Catalysis Special Issue in Catalysts: Iridium Catalysts Special Issue in Nanomaterials: Advances in Heterocatalysis by Nanomaterials
Prof. Miklos Kertesz Department of Chemistry and Institute of Soft Matter, Georgetown University, Washington DC 20057-1227, USA Website 1 \| Website 2 \| E-Mail 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: Special Issue in Molecules: High–Pressure Behaviour of Solids: From Molecular Species to 3D-Framework Materials

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Prof. Dr. Mingfei Zhou Section Editor-in-Chief Department of Chemistry, Fudan University, No. 220, Handan Rd., Shanghai 200433, China Tel. +86-21-31249139 Website \| E-Mail 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: Special Issue in Molecules: Selected Papers from the 2nd International Symposium on New Molecules and Clusters
Prof. Iñaki Tuñón Departament de Química Física, Universitat de València, 46100 Burjassot, Spain Website \| E-Mail Interests: molecular simulations of chemical reactions; transition state theory; enzyme catalysis; molecular dynamics; QM/MM methods; reactions in solution
Dr. Carmelo Corsaro MIFT Department, University of Messina, Viale F. Stagno D'Alcontres 31, 98166 Messina, Italy Website \| E-Mail 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 Molecules: Physical Chemistry of Aqueous Solutions and Glass Forming Systems
Prof. Dr. Mark R. Hoffmann Department of Chemistry, University of North Dakota, Grand Forks, Grand Forks, ND 58202-9024, USA Website \| E-Mail Interests: electronic structure theory; multireference perturbation theory; embedding; excited electronic states; strong correlation Special Issues and Collections in MDPI journals: Special Issue in Computation: Novel Algorithms/High Performance Computing Arising in Molecular Electronic Structure Theory Special Issue in Molecules: Electronic Structure Theory of Molecules at Interfaces
Prof. Pierandrea Lo Nostro Department of Chemistry, University of Florence, Sesto Fiorentino, Italy Website \| E-Mail Interests: physical chemistry; supramolecular chemistry; specific ion effects; soft matter; complex fluids; nanoscience and nanotechnology; formulations; gels; molecular liquids
Dr. Klemen Bohinc Faculty of Health Sciences, University of Ljubljana, Ljubljana 1000, Slovenia Website \| E-Mail 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
Prof. Gengfeng Zheng Department of Chemistry and Laboratory of Advanced Materials, Fudan University, Shanghai, 200438, China Website \| E-Mail Interests: electrocatalysis; renewable energy; CO2 reduction; N2 reduction
Dr. Serena Silvi Dipartimento di Chimica “G. Ciamician”, Università di Bologna, 40126 Bologna, Italy Website \| E-Mail Interests: supramolecular chemistry; photochemistry; molecular machines; photochromic systems
Prof. Dr. Ricardo L. Mancera School of Pharmacy and Biomedical Sciences, Curtin Health Innovation Research Institute and Curtin Institute for Computation, Curtin University, Perth WA 6845, Australia Website \| E-Mail Interests: Protein folding and aggregation; cell membrane structure and interactions; macromolecular aggregates; ligand-protein and protein-protein interactions; protein hydration; aqueous solutions Special Issues and Collections in MDPI journals: Special Issue in Molecules: Molecular Simulation of Protein Structure, Dynamics and Interactions
Dr. Antonio Monari University of Lorraine and CNRS, Theoretical Physics and Theoretical Chemistry Laboratory (LPCT), Nancy, France Website \| E-Mail Interests: molecular modeling and simulation; theoretical photophysics and photochemistry; time resolved spectroscopy; non-adiabatic phenomena; QM/MM methods; DNA photosensitization; DNA lesion repair mechanisms Special Issues and Collections in MDPI journals: Special Issue in Molecules: Multiscale Chemical Modeling and Simulations Using Quantum Mechanics/Molecular Mechanics (QM/MM)
Prof. Dr. Xiaoqing Zeng Chemical Engineering and Materials Science, Soochow University, Suzhou, China Website \| E-Mail 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: Special Issue in Molecules: Selected Papers from the 2nd International Symposium on New Molecules and Clusters Special Issue in Molecules: Main-Group Small Molecules: Structure and Reactivity
Prof. Etelka Tombácz Department of Food Engineering, University of Szeged, Moszkvai krt. 5-7, H-6725 Szeged, Hungary Website \| E-Mail Interests: aqueous colloids; adsorption; surface charging; colloidal stability; magnetic nanoparticles; clay minerals; oxides; polyelectrolytes; humic acids; soils
Dr. Igor Reva Department of Chemistry, University of Coimbra, 3004-535, Coimbra, Portugal Website \| E-Mail 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 Topical Collection in Molecules: Molecular Structure
Dr. Sergio G Rodrigo 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 Website \| E-Mail Interests: nonlinear plasmonics; 2D metamaterials; condensed matter nanophotonics; numerical methods
Prof. Dr. John M. Herbert Dept. of Chemistry & Biochemistry, The Ohio State University, 100 W. 18th Ave. Columbus, OH 43210, USA Website \| E-Mail Interests: electronic structure theory; condensed-phase chemical physics; spectroscopy; software
Dr. Andrzej Grzechnik Institute of Crystallography, RWTH Aachen, Jägerstr. 17-19, 52066 Aachen, Germany Website \| E-Mail Interests: inorganic chemistry; functional materials; crystallography; Raman spectroscopy; infrared spectroscopy; phase transitions; high-pressure synthesis
Prof. Paul Marshall Department of Chemistry and Center for Advanced Scientific Computing and Modeling, University of North Texas, Denton, Texas 76203, USA Website \| E-Mail Interests: chemical kinetics; computational chemistry; combustion & atmospheric chemistry; short-lived intermediates
Prof. Dr. Xuefeng Wang School of Chemical Science and Engineering, Tongji University, Shanghai 200092, China Website \| E-Mail 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: Special Issue in Molecules: Matrix Infrared Spectra and Molecular Structures of Reactive Intermediates Topical Collection in Molecules: Molecular Structure
Dr. Caroline Dessent Department of Chemistry, University of York, Heslington, York, YO10 5DD, UK Tel. +44-1904-324092 Website 1 \| Website 2 \| E-Mail 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
Dr. Pier Luigi Gentili Department of Chemistry, Biology, and Biotechnology; University of Perugia, 06123 Perugia, Italy Tel. (+39) 075-585-5573 Website \| E-Mail 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
Dr. Tom Penfold Theoretical and Computational Chemistry, Chemistry-School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne, NE1 7RU, United Kingdom Tel. 0044-(0)-191-2086924; Fax: 0044-(0)-191-2086924 Website \| E-Mail Interests: excited states; quantum dynamics; time-resolved spectroscopy; X-ray spectroscopy; nonadiabatic coupling; organic electronics
Prof. Dr. Steve Scheiner Department of Chemistry and Biochemistry, Utah State University, Logan, UT, USA Website \| E-Mail Interests: noncovalent forces; H-bonds; computational chemistry Special Issues and Collections in MDPI journals: Special Issue in Molecules: Intramolecular Hydrogen Bonding 2017 Special Issue in Molecules: Tetrel Bonds
Prof. Dr. Ioannis V. Yentekakis Technical University of Crete (Polytechnion Kritis), Laboratory of Physical Chemistry and Chemical Processes, Chania, Crete, Greece Tel. +30-28210-37752 Website 1 \| Website 2 \| E-Mail Interests: Nano-structured Catalytic Materials; Nanocatalysis; Environmental Catalysis; Electrocatalysis and Fuel Cells; Advanced Energy Materials; Catalysts sintering and re-dispersion; CO2 Management and Utilization; Biogas and Natural Gas Management and Utilization; H2-energy; Renewable and Sustainable Energy Special Issues and Collections in MDPI journals: Special Issue in Catalysts: Emissions Control Catalysis Special Issue in Catalysts: Iridium Catalysts Special Issue in Nanomaterials: Advances in Heterocatalysis by Nanomaterials
Prof. Miklos Kertesz Department of Chemistry and Institute of Soft Matter, Georgetown University, Washington DC 20057-1227, USA Website 1 \| Website 2 \| E-Mail 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: Special Issue in Molecules: High–Pressure Behaviour of Solids: From Molecular Species to 3D-Framework Materials