2005 |
5 | EE | Jay L. Banks,
Hege S. Beard,
Yixiang X. Cao,
Art E. Cho,
Wolfgang Damm,
Ramy Farid,
Anthony K. Felts,
Thomas A. Halgren,
Daniel T. Mainz,
Jon R. Maple,
Robert B. Murphy,
Dean M. Philipp,
Matthew P. Repasky,
Linda Yu Zhang,
Bruce J. Berne,
Richard A. Friesner,
Emilio Gallicchio,
Ronald M. Levy:
Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Journal of Computational Chemistry 26(16): 1752-1780 (2005) |
2004 |
4 | EE | Ivan Tubert-Brohman,
Cristiano Ruch Werneck Guimarães,
Matthew P. Repasky,
William L. Jorgensen:
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens.
Journal of Computational Chemistry 25(1): 138-150 (2004) |
3 | EE | Ricard Casadesús,
Miquel Moreno,
Àngels González-Lafont,
José M. Lluch,
Matthew P. Repasky:
Testing electronic structure methods for describing intermolecular H · · · H interactions in supramolecular chemistry.
Journal of Computational Chemistry 25(1): 99-105 (2004) |
2002 |
2 | EE | Matthew P. Repasky,
Jayaraman Chandrasekhar,
William L. Jorgensen:
PDDG/PM3 and PDDG/MNDO: Improved semiempirical methods.
Journal of Computational Chemistry 23(16): 1601-1622 (2002) |
1 | EE | Matthew P. Repasky,
Jayaraman Chandrasekhar,
William L. Jorgensen:
Improved semiempirical heats of formation through the use of bond and group equivalents.
Journal of Computational Chemistry 23(4): 498-510 (2002) |