| 2000 |
|---|
| 4 | EE | Jing Kong,
Christopher A. White,
Anna I. Krylov,
David Sherrill,
Ross D. Adamson,
Thomas R. Furlani,
Michael S. Lee,
Aaron M. Lee,
Steven R. Gwaltney,
Terry R. Adams,
Christian Ochsenfeld,
Andrew T. B. Gilbert,
Gary S. Kedziora,
Vitaly A. Rassolov,
David R. Maurice,
Nikhil Nair,
Yihan Shao,
Nicholas A. Besley,
Paul E. Maslen,
Jeremy P. Dombroski,
Holger Daschel,
Weimin Zhang,
Prakashan P. Korambath,
Jon Baker,
Edward F. C. Byrd,
Troy A. Van Voorhis,
Manabu Oumi,
So Hirata,
Chao-Ping Hsu,
Naoto Ishikawa,
Jan Florián,
Arieh Warshel,
Benny G. Johnson,
Peter M. W. Gill,
Martin Head-Gordon,
John A. Pople:
Q-Chem 2.0: a high-performance ab initio electronic structure program package.
Journal of Computational Chemistry 21(16): 1532-1548 (2000) |
| 3 | EE | Gongyi Hong,
Marek Strajbl,
Tomasz A. Wesolowski,
Arieh Warshel:
Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions.
Journal of Computational Chemistry 21(16): 1554-1561 (2000) |
| 2 | EE | Jordi Villá,
Jörg Bentzien,
Àngels González-Lafont,
José M. Lluch,
Juan Bertran,
Arieh Warshel:
Effective way of modeling chemical catalysis: Empirical valence bond picture of role of solvent and catalyst in alkylation reactions.
Journal of Computational Chemistry 21(8): 607-625 (2000) |
| 1977 |
|---|
| 1 | EE | Arieh Warshel:
The ClCFF/PI+ MGA program package efficiency and versatility in molecular mechanics.
Computers & Chemistry 1(3): 195-202 (1977) |
