Subject: RE: Refs, H bond calcs 100 atoms

From: Trohalaki Steven Contr AFRL/MLPJ <[email-masked]>
Date: Fri, 11 Apr 2003 09:26:16 -0400

I'd add to the list of references "ACS Symposium Series 569: Modeling the Hydrogen Bond," Douglas A. Smith, editor, ACS, Washington DC, 1994, although it may a bit dated.

Steve Trohalaki

-----Original Message-----
From: elewars [mailto:[email-masked]]
Sent: Thursday, April 10, 2003 3:35 PM
To: [email-masked]
Subject: CCL:Refs, H bond calcs 100 atoms

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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