IJMS | January-February 2005

Int. J. Mol. Sci., Volume 6, Issue 1 (January-February 2005), Pages 1-176

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Displaying article 1-15

p. 1-2

Tadeusz M. Krygowski Editorial: Special Issue Dedicated to Professor Marvin Charton – Correlation Analyst Par Excellence Int. J. Mol. Sci. 2005, 6(1), 1-2; doi:10.3390/i6010001 Received: 18 January 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (121 KB)

p. 3-10

John Shorter Article: Marvin Charton - Correlation Analyst Par Excellence Int. J. Mol. Sci. 2005, 6(1), 3-10; doi:10.3390/i6010003 Received: 10 September 2004 / Accepted: 19 October 2004 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (187 KB)

p. 11-17

Janusz Oszczapowicz Article: Substituent Effects in the ¹³C-NMR Spectra of Six-Membered Nitrogen Heteroaromatic Compounds Int. J. Mol. Sci. 2005, 6(1), 11-17; doi:10.3390/i6010011 Received: 15 June 2004; in revised form: 25 January 2005 / Accepted: 26 January 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (169 KB)

p. 18-29

Minoru Hirota, Kazuhisa Sakakibara, Tomoaki Yuzuri and Shin-ichi Kuroda Article: Re-examination of Steric Substituent Constants by Molecular Mechanics Int. J. Mol. Sci. 2005, 6(1), 18-29; doi:10.3390/i6010018 Received: 1 July 2004; in revised form: 10 September 2004 / Accepted: 12 October 2004 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (273 KB)

p. 30-44

Jan Svoboda, Monika Pelcová, Taťjana Nevěčná and Oldřich Pytela Article: Kinetics and Mechanism of Acetoxymercuration and Acid-Catalysed Hydration of α-Alkylstyrenes Int. J. Mol. Sci. 2005, 6(1), 30-44; doi:10.3390/i6010030 Received: 15 April 2004; in revised form: 10 January 2005 / Accepted: 10 January 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (273 KB)

p. 45-51

Tadeusz M. Krygowski, Beata T. Stępień and Michał K. Cyrański Article: How the Substituent Effect Influences π-Electron Delocalisation in the Ring of Reactants in the Reaction Defining the Hammett Substituent Constants σm and σp Int. J. Mol. Sci. 2005, 6(1), 45-51; doi:10.3390/i6010045 Received: 29 April 2004 / Accepted: 9 October 2004 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (195 KB)

p. 52-62

Anna Zakrzewska, Ryszard Gawinecki, Erkki Kolehmainen and Borys Ośmiałowski Article: ¹³C-NMR Based Evaluation of the Electronic and Steric Interactions in Aromatic Amines Int. J. Mol. Sci. 2005, 6(1), 52-62; doi:10.3390/i6010052 Received: 16 April 2004; in revised form: 24 January 2005 / Accepted: 25 January 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (211 KB)

p. 63-86

Artem Cherkasov Article: Inductive QSAR Descriptors. Distinguishing Compounds with Antibacterial Activity by Artificial Neural Networks Int. J. Mol. Sci. 2005, 6(1), 63-86; doi:10.3390/i6010063 Received: 20 September 2004; in revised form: 14 January 2005 / Accepted: 15 January 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (307 KB)

p. 87-96

Jin B. Kyong, Hoshik Won and Dennis N. Kevill Article: Application of the Extended Grunwald-Winstein Equation to Solvolyses of n-Propyl Chloroformate Int. J. Mol. Sci. 2005, 6(1), 87-96; doi:10.3390/i6010087 Received: 30 November 2004 / Accepted: 10 December 2004 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (94 KB)

p. 97-103

N. S. Nudelman and Alvaro Vázquez Article: Solvent and Ligand Effects on the Tandem Addition-Lithiation-Electrophilic Substitution of Phenyllithium on α,β-Unsaturated Carbonyl Compounds Int. J. Mol. Sci. 2005, 6(1), 97-103; doi:10.3390/i6010097 Received: 2 June 2004; in revised form: 15 June 2004 / Accepted: 17 December 2004 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (174 KB)

p. 104-118

Johan A. Linthorst, Jaap E. Klijn and Jan B. Engberts Article: Influence of Long-Tailed Alcohols on the Solubilisation of Cationic DHAB Bilayers Int. J. Mol. Sci. 2005, 6(1), 104-118; doi:10.3390/i6010104 Received: 17 February 2004 / Accepted: 19 March 2004 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (296 KB)

p. 119-129

J. C. Dearden and G. M. Bresnen Article: Thermodynamics of Water-octanol and Water-cyclohexane Partitioning of some Aromatic Compounds Int. J. Mol. Sci. 2005, 6(1), 119-129; doi:10.3390/i6010119 Received: 4 August 2004; in revised form: 3 February 2005 / Accepted: 3 February 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (236 KB)

p. 130-142

Eduardo Humeres, Maria da Gloria B. Peruch, Regina F. Moreira and Wido Schreiner Article: Reduction of Sulfur Dioxide on Carbons Catalyzed by Salts Int. J. Mol. Sci. 2005, 6(1), 130-142; doi:10.3390/i6010130 Received: 13 August 2004; in revised form: 21 January 2005 / Accepted: 21 January 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (226 KB)

p. 143-156

Ewa D. Raczyńska, Mariusz Makowski, Elżbieta Górnicka and Małgorzata Darowska Article: Ab Initio Studies on the Preferred Site of Protonation in Cytisine in the Gas Phase and Water Int. J. Mol. Sci. 2005, 6(1), 143-156; doi:10.3390/i6010143 Received: 24 June 2004; in revised form: 28 January 2005 / Accepted: 28 January 2005 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (237 KB)

p. 157-176

Alexander Neugebauer and Günter Häfelinger Article: Ab initio post-HF CCSD(T) Calculations for Triplet and Singlet Methylene in Four consecutive Dunning Basis Sets with Extrapolations to Infinite Limits for Various Molecular Properties Int. J. Mol. Sci. 2005, 6(1), 157-176; doi:10.3390/i6010157 Received: 8 October 2004; in revised form: 10 December 2004 / Accepted: 10 December 2004 / Published: 31 January 2005 Show/Hide Abstract | Download PDF Full-text (333 KB)

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Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI Publishing, Basel, Switzerland RSS E-Mail Table of Contents Alert