Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · 1 Nov 1994
ADVERTISEMENT RETURN TO ISSUEArticleNEXTAb Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force FieldsP. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. FrischCite this: J. Phys. Chem. 1994, 98, 45, 11623–11627Publication Date (Print):November 1, 1994Publication History Published online1 May 2002Published inissue 1 November 1994https://pubs.acs.org/doi/10.1021/j100096a001https://doi.org/10.1021/j100096a001research-articleACS PublicationsRequest reuse permissionsArticle Views22554Altmetric-Citations18558LEARN…
van der Waals Volumes and Radii
A. Bondì · 1 Mar 1964
ADVERTISEMENT RETURN TO ISSUEArticleNEXTvan der Waals Volumes and RadiiA. BondiCite this: J. Phys. Chem. 1964, 68, 3, 441–451Publication Date (Print):March 1, 1964Publication History Published online1 May 2002Published inissue 1 March 1964https://pubs.acs.org/doi/10.1021/j100785a001https://doi.org/10.1021/j100785a001research-articleACS PublicationsRequest reuse permissionsArticle Views49041Altmetric-Citations16569LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML)…
The missing term in effective pair potentials
Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · 1 Nov 1987
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTThe missing term in effective pair potentialsH. J. C. Berendsen, J. R. Grigera, and T. P. StraatsmaCite this: J. Phys. Chem. 1987, 91, 24, 6269–6271Publication Date (Print):November 1, 1987Publication History Published online1 May 2002Published inissue 1 November 1987https://pubs.acs.org/doi/10.1021/j100308a038https://doi.org/10.1021/j100308a038research-articleACS PublicationsRequest reuse permissionsArticle Views22164Altmetric-Citations10802LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full…
Exact stochastic simulation of coupled chemical reactions
Daniel T. Gillespie · 1 Dec 1977
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTExact stochastic simulation of coupled chemical reactionsDaniel T. GillespieCite this: J. Phys. Chem. 1977, 81, 25, 2340–2361Publication Date (Print):December 1, 1977Publication History Published online1 May 2002Published inissue 1 December 1977https://pubs.acs.org/doi/10.1021/j100540a008https://doi.org/10.1021/j100540a008research-articleACS PublicationsRequest reuse permissionsArticle Views28765Altmetric-Citations7236LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF…
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model
Christopher I. Bayly, Piotr Cieplak, Wendy D. Cornell et al. · 1 Oct 1993
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTA well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP modelChristopher I. Bayly, Piotr Cieplak, Wendy Cornell, and Peter A. KollmanCite this: J. Phys. Chem. 1993, 97, 40, 10269–10280Publication Date (Print):October 1, 1993Publication History Published online1 May 2002Published inissue 1 October 1993https://pubs.acs.org/doi/10.1021/j100142a004https://doi.org/10.1021/j100142a004research-articleACS PublicationsRequest reuse permissionsArticle Views12411Altmetric-Citations6126LEARN ABOUT…
