Volume 85; Issue 6

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International Journal of Quantum Chemistry
Volume 85; Issue 6

International Journal of Quantum Chemistry

Volume 85; Issue 6

1

Thermodynamic molecular switch in sequence-specific hydrophobic interactions

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 274 KB

english, 2001

2

Introduction

N. Y. Öhrn, J. R. Sabin

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 32 KB

english, 2001

3

List of participants

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

4

Computational studies of electron-transfer processes in old yellow enzyme

Ginger M. Chateauneuf, Richard E. Brown, Bette Jo Brown

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 288 KB

english, 2001

5

Evaluating the relative free energy of hydration of new thrombin inhibitor candidates using the finite difference thermodynamic integration (FDTI) method

Cristiano Ruch Werneck Guimarães, Ricardo Bicca de Alencastro

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 259 KB

english, 2001

6

Theory and applications of the integrated molecular transform and the normalized molecular moment structure descriptors: QSAR and QSPR paradigms

Stephen P. Molnar, James W. King

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 170 KB

english, 2001

7

Experimentation with different thermodynamic cycles used for pKa calculations on carboxylic acids using complete basis set and Gaussian-n models combined with CPCM continuum solvation methods

Matthew D. Liptak, George C. Shields

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 175 KB

english, 2001

8

Calculating populations of subcellular compartments using density matrix formalism

Vadim Alexandrov, Mark Gerstein

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 79 KB

english, 2001

9

Molecular surface electrostatic potentials in relation to noncovalent interactions in biological systems

Peter Politzer, Jane S. Murray, Zenaida Peralta-Inga

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 465 KB

english, 2001

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