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Current trends in computational chemistry

G.A. Voth, Proton Transport in Aqueous and Biomolecular Systems, Conference on Current Trends in Computational Chemistry, Jackson, November 2002. [Pg.228]

Jerzy Leszczynski, Current Trends in Computational Chemistry, in Struct. Chem., 6 (4-5), Plenum, New York, 1995. [Pg.284]

Haranczyk M, Mazurkiewicz K, Gutowski M, Rak J, Radisic D, Eustis S, Wang D, Bowen KH (November 3rd-4th 2006). Purine moiety as an excess electron trap in the Watson-Crick AT pair solvated with formic acid. A Computational and Photoelectron Spectroscopy Study, 15th Conference on Current Trends in Computational Chemistry, Jackson, Mississippi, USA. [Pg.668]

We recorded our conversation at the Third Conference on Current Trends in Computational Chemistry in Vicksburg, Mississippi, on November 3, 1995, and finalized the text in March 1997. ... [Pg.81]

Clementi was very assertive in claiming that computers could be extremely useful in the future if, and only if, one departed from the then-current trend in computational chemistry, which pointed "toward the formation of an enormous library of wave functions with little attention to chemistry as such. This, of course, will lead to chemistry but only if we compute a very significant fraction of the possible molecules. Such a goal seems most unrealistic" (Clementi 1967, 308). He reacted against the... [Pg.217]

Nowak, W., 8c Marszalek, P. (2005). Molecular dynamics simulations of single molecule atomic force microscope e eriments. In J. Leszczynski (Ed.), Current trends in computational chemistry (pp. 47-83). Singapore World Scientific. [Pg.1150]

Mezey, P.G. (1996) Local shape analysis of macromolecular electron densities. In Computational Chemistry Reviews and Current Trends, Leszczynski, J. (Ed.), World Scientific Publ., Singapore. [Pg.79]

J. L. Rivail and D. Rinaldi, Liquid state quantum chemistry computational applications of the polarizable continuum models, in Computational Chemistry, Review of Current Trends, J. Leszczynski, ed., World Scientific, New York (1996) pp. 139-174. [Pg.92]

Piecuch, P. Kowalski, K. In Computational Chemistry Reviews of Current Trends Leszczyhski, J., Ed. World Scientific Singapore, 2000 Vol. 5, pp. 1-104. [Pg.69]

Y. Ishikawa and U. Kaldor, in Computational Chemistry Review of Current Trends, ed. J. Leszczynski, (World Scientific, Singapore, 1996), vol. I, p. 1. [Pg.175]

H. Nakatsuji, in Computational Chemistry Reviews of Current Trends, edited by J. Leszczynski (World Scientific, Singapore, 1997), Vol. 2, pp. 62-124. [Pg.104]

L. Seijo and Z. Barandiaran, in Computational Chemistry Reviews of Current Trends, J. [Pg.197]

Ishikawa, I. and Kaldor, U. In. Computational Chemistry, Reviews of Current Trends, Ed. Leszynski, J., World Scientific, Singapore, (1996) Vol. 1. [Pg.88]


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