Crystal structures of hydrophobic amino acids: Interaction energies of hydrogen-bonded layers revealed by ab initio calculations

Journal of Molecular Structure: THEOCHEM

Volumn 675, Issue 1-3, 2004, Pages 47-52

  Dalhus, Bjørn ^a   Görbitz, Carl Henrik ^a  

^a UNIVERSITY OF OSLO   (Norway)

Author keywords

Ab initio; Amino acids; Crystal structures; Hydrogen bonds; Two dimensional patterns

Indexed keywords

ACID; AMINO ACID DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; CHEMICAL INTERACTION; CRYSTAL STRUCTURE; ENANTIOMER; ENERGY TRANSFER; HYDROGEN BOND; HYDROPHILICITY; HYDROPHOBICITY; RACEMIC MIXTURE;

EID: 2342517463     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.12.032     Document Type: Article

References (13)

1. Schade B., Fuhrhop J.-H. New J. Chem. 22:1998;97
2. Dalhus B., Görbitz C.H. Acta Crystallogr. C55:1999;1547
3. Dalhus B., Görbitz C.H. Acta Crystallogr. C55:1999;1105
4. B. Dalhus, C.H. Görbitz, in preparation.
5. Allen F.H., Motherwell W.D.S. Acta Crystallogr. B58:2002;407
6. Dovesi R., Roetti C., Saunders V.R. CRYSTAL92. An ab-initio HF LCAO program for periodic systems. 1993;University of Turin and Daresbury Laboratory
7. Taylor R., Kennard O. Acta Crystallogr. B39:1983;133
8. Görbitz C.H. J. Chem. Soc., Perkin Trans. 2:1996;2213
9. Chipot C., Maigret B., Rivail J.-L., Scheraga H.A. J. Phys. Chem. 96:1992;10276
10. Chipot C., Angyan J.G., Maigret B., Scheraga H.A. J. Phys. Chem. 97:1993;9788
11. Kushwaha P.S., Kumar A., Mishra P.C. Int. J. Quantum Chem. 74:1999;271
12. Dalhus B., Görbitz C.H. Acta Crystallogr. B56:2000;720
13. Jaques J., Collet A., Wilen S. Enantiomers, Racemates and Resolutions. 1981;Wiley, New York