Subject: Refs, H bond calcs 100 atoms

From: elewars <[email-masked]>
Date: Thu, 10 Apr 2003 15:34:54 -0400

2003 April 10

re the question about H bonds in a "supramolecular system...100 atoms".
These refs may be helpful:

Comparison of semiempirical and ab initio calculations on H bonds:
J. J. Dannenberg, THEOCHEM, 1997, 401, 279.

H bonding and DFT:
M. Lozynski, D. Rusinska-Roszak, H.-G. Mack, J Phys Chem A, 1998, 102,
2899.

A DFT study of a hydrogen bond:
J. Spangett-Larson, Chem. Phys., 1999, 240, 51.

"Understanding the hydrogen bond with Quantum Chemistry":
M. S. Gordon, J. H. Jensen, Acc. Chem. Res., 1996, 29, 536.

E. Lewars
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