2007 |
6 | EE | H. Lee Woodcock III,
Milan Hodoscek,
Andrew T. B. Gilbert,
Peter M. W. Gill,
Henry F. Schaefer III,
Bernard R. Brooks:
Interfacing Q-Chem and CHARMM to perform QM/MM reaction path calculations.
Journal of Computational Chemistry 28(9): 1485-1502 (2007) |
2006 |
5 | EE | Siu-Hung Chien,
Peter M. W. Gill:
SG-0: A small standard grid for DFT quadrature on large systems.
Journal of Computational Chemistry 27(6): 730-739 (2006) |
2003 |
4 | EE | Peter M. W. Gill,
Siu-Hung Chien:
Radial quadrature for multiexponential integrands.
Journal of Computational Chemistry 24(6): 732-740 (2003) |
2000 |
3 | EE | Peter M. W. Gill,
Andrew T. B. Gilbert,
Terry R. Adams:
Rapid evaluation of two-center two-electron integrals.
Journal of Computational Chemistry 21(16): 1505-1510 (2000) |
2 | 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) |
1999 |
1 | EE | Ross D. Adamson,
Jeremy P. Dombroski,
Peter M. W. Gill:
Efficient calculation of short-range Coulomb energies.
Journal of Computational Chemistry 20(9): 921-927 (1999) |