Hydrogen Bonds: First Quantitative Agreement between Electrostatic Potential Calculations from Experimental X−(X + N) and Theoretical ab Initio SCF Models-Reference-Cited by-同舟云学术

Hydrogen Bonds: First Quantitative Agreement between Electrostatic Potential Calculations from Experimental X−(X + N) and Theoretical ab Initio SCF Models

Published:1996-01-01 Issue:10 Volume:118 Page:2501-2502
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Espinosa E.¹,Lecomte C.¹,Ghermani N. E.¹,Devémy J.¹,Rohmer M. M.¹,Bénard M.¹,Molins E.¹

Affiliation:

1. Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques, LCM3B, URA CNRS 809 Faculté des Sciences, BP 239 Université Henri Poincaré-Nancy 1 54506 Vandoeuvre-lès-Nancy Cédex, France Instituto de Ciencia de Materiales de Barcelona (CSIC), Campus de la UAB 08193 Bellaterra, Barcelona, Spain Laboratoire de Chimie Quantique, UPR 139 CNRS Université Louis Pasteur, 4 Rue B. Pascal F-67000 Strasbourg, France

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja953193c

Reference9 articles.

1. Electron distributions in peptides and related molecules. 2. An experimental and theoretical study of (Z)-N-acetyl-.alpha.,.beta.-dehydrophenylalanine methylamide

2. The crystal structure of L-arginine phosphate monohydrate

3. Electrostatic molecular potentials in hydrogen-bonded systems

4. Interactions in a phosphate—water—cation system

5. Testing aspherical atom refinements on small-molecule data sets

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