Jan W. Andzelm - researchr alias

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Viewing Publication 1 - 4 from 4

1997

A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experimentT. Nguyen Dzung, Andrew C. Scheiner, Jan W. Andzelm, Suzanne W. Sirois, Dennis R. Salahub, Arnold T. Hagler. jcc, 18(13):1609-1631, 1997. [doi]

Molecular energies and properties from density functional theory: Exploring basis set dependence of Kohn - Sham equation using several density functionalsAndrew C. Scheiner, Jon Baker, Jan W. Andzelm. jcc, 18(6):775-795, 1997. [doi]

1995

Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic AcidJan W. Andzelm, T. Nguyen Dzung, Rolf Eggenberger, Dennis R. Salahub, Arnold T. Hagler. CANDC, 19(3):145-154, 1995. [doi]

Preliminary Density Functional Calculations on the Formic Acid DimerHenryk Chojnacki, Jan W. Andzelm, T. Nguyen Dzung, W. Andrzej Sokalski. CANDC, 19(3):181-187, 1995. [doi]

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