2001 |
8 | EE | Carl S. Ewig,
Rajiv Berry,
Uri Dinur,
Jörg-Rüdiger Hill,
Ming-Jing Hwang,
Haiying Li,
Chris Liang,
Jon Maple,
Zhengwei Peng,
Thomas P. Stockfisch,
Thomas S. Thacher,
Lisa Yan,
Xiangshan Ni,
Arnold T. Hagler:
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds.
Journal of Computational Chemistry 22(15): 1782-1800 (2001) |
1998 |
7 | EE | J. R. Maple,
Ming-Jing Hwang,
Karl James Jalkanen,
Thomas P. Stockfisch,
Arnold T. Hagler:
Derivation of class II force fields: V. Quantum force field for amides, peptides, and related compounds.
Journal of Computational Chemistry 19(4): 430-458 (1998) |
1997 |
6 | EE | T. Nguyen Dzung,
Andrew C. Scheiner,
Jan W. Andzelm,
Suzanne W. Sirois,
Dennis R. Salahub,
Arnold T. Hagler:
A density functional study of the glycine molecule: Comparison with post-Hartree-Fock calculations and experiment.
Journal of Computational Chemistry 18(13): 1609-1631 (1997) |
1995 |
5 | EE | Jan W. Andzelm,
T. Nguyen Dzung,
Rolf Eggenberger,
Dennis R. Salahub,
Arnold T. Hagler:
Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid.
Computers & Chemistry 19(3): 145-154 (1995) |
4 | | Congxin Liang,
Liqun Yan,
Jörg-Rüdiger Hill,
Carl S. Ewig,
Terry R. Stouch,
Arnold T. Hagler:
Force Field Studies of Cholesterol and Chelesteryl Acetate Crystals and Cholesterol-Cholesterol Intermolecular Interactions.
Journal of Computational Chemistry 16(7): 883-897 (1995) |
1994 |
3 | | Kim Baldridge,
R. Fine,
Arnold T. Hagler:
The Effects of Solvent Screening in Quantum Mechanical Calculations in Protein Systems.
Journal of Computational Chemistry 15(11): 1217-1227 (1994) |
2 | | J. R. Maple,
Ming-Jing Hwang,
Thomas P. Stockfisch,
Uri Dinur,
M. Waldman,
Carl S. Ewig,
Arnold T. Hagler:
Derication of Class II Force Fields. I. Methology and Quantum Force Field for the Alkyl Functional Group and Alkane Molecules.
Journal of Computational Chemistry 15(2): 162-182 (1994) |
1 | | Uri Dinur,
Arnold T. Hagler:
On the FUnctional Representation of Bond Energy Functions.
Journal of Computational Chemistry 15(9): 919-924 (1994) |