 | 2009 |
|---|
| 8 |       | Roberto Gomperts,
Michael J. Frisch,
Jean-Pierre Panziera:
Scalability of Gaussian 03 on SGI Altix: The Importance of Data Locality on CC-NUMA Architecture.
IWOMP 2009: 93-103 |
| 2007 |
|---|
| 7 | | Rui Yang,
Alistair P. Rendell,
Michael J. Frisch:
On the Use of Incomplete LU Decomposition as a Preconditioning Technique for Density Fitting in Electronic Structure Computations.
ICCSA (1) 2007: 265-280 |
| 2003 |
|---|
| 6 | | Thom Vreven,
Keiji Morokuma,
Ödön Farkas,
H. Bernhard Schlegel,
Michael J. Frisch:
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.
Journal of Computational Chemistry 24(6): 760-769 (2003) |
| 2000 |
|---|
| 5 |  | C. P. Sosa,
G. Scalmani,
Roberto Gomperts,
Michael J. Frisch:
Ab initio quantum chemistry on a ccNUMA architecture using openMP III.
Parallel Computing 26(7-8): 843-856 (2000) |
| 1998 |
|---|
| 4 | | C. P. Sosa,
J. Ochterski,
J. Carpenter,
Michael J. Frisch:
Ab initio quantum chemistry on the Cray T3E massively parallel supercomputer: II.
Journal of Computational Chemistry 19(9): 1053-1063 (1998) |
| 1996 |
|---|
| 3 | | Chunyang Peng,
Philippe Y. Ayala,
H. Bernhard Schlegel,
Michael J. Frisch:
Using redundant internal coordinates to optimize equilibrium geometries and transition states.
Journal of Computational Chemistry 17(1): 49-56 (1996) |
| 1995 |
|---|
| 2 | | Ming Wah Wong,
Kenneth B. Wiberg,
Michael J. Frisch:
Ab Initio Calculation of Molar Volumes: Compariso with Experiment and Use in Solvation Models.
Journal of Computational Chemistry 16(3): 365-394 (1995) |
| 1972 |
|---|
| 1 | | Michael J. Frisch:
Remarks on Characteristic Values and Associated Solutions of Mathieus Differential Equation, Exponential Integral, and Systems of Hyperbolic P.D.E. (Remark on Algorithms 352, 385, 392).
Commun. ACM 15(12): 1074 (1972) |
