+++4 J Comput Chem

[honyak]

Коллеги, пожалуйста, помогите со следующими статьями:

1. Molecular dynamics simulation studies of liquid acetonitrile: New six-site model
Xavier Grabuleda, Carlos Jaime1, Peter A. Kollman
Journal of Computational Chemistry
Volume 21, Issue 10, pages 901–908, 30 July 2000

DOI:

http://dx.doi.org/10.1002/1096-987X(20000730)21:10<901::AID-JCC7>3.0.CO;2-F

2. New six-site acetonitrile model for simulations of liquid acetonitrile and its aqueous mixtures
Alexei M. Nikitin, Alexander P. Lyubartsev
Journal of Computational Chemistry
Volume 28, Issue 12, pages 2020–2026, September 2007

DOI:

http://dx.doi.org/10.1002/jcc.20721

3. Development and testing of a general amber force field
Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case
Journal of Computational Chemistry
Volume 25, Issue 9, pages 1157–1174, 15 July 2004

DOI:

http://dx.doi.org/10.1002/jcc.20035

4. How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
Junmei Wang, Piotr Cieplak, Peter A. Kollman
Journal of Computational Chemistry
Volume 21, Issue 12, pages 1049–1074, September 2000

DOI:

http://dx.doi.org/10.1002/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F

Заранее благодарен!

[macro]