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Peter Pulay: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]
Publications of Author
- Yueyue Zhang, Amy W. Apon, Peter Pulay
Array Files for Out-of-Core Computations. [Citation Graph (0, 0)][DBLP]
PDPTA, 2003, pp:191-200 [Conf] - Jon Baker, Peter Pulay
Efficient geometry optimization of molecular clusters. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2000, v:21, n:1, pp:69-76 [Journal] - Jon Baker, Peter Pulay
An efficient parallel algorithm for the calculation of canonical MP2 energies. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2002, v:23, n:12, pp:1150-1156 [Journal] - Jon Baker, Peter Pulay
Assessment of the OLYP and O3LYP density functionals for first-row transition metals. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2003, v:24, n:10, pp:1184-1191 [Journal] - Jon Baker, Peter Pulay
Predicting the vibrational spectra of some simple fluorocarbons by direct scaling of primitive valence force constants. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 1998, v:19, n:10, pp:1187-1204 [Journal] - Frank Eckert, Peter Pulay, Hans-Joachim Werner
Ab initio geometry optimization for large molecules. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 1997, v:18, n:12, pp:1473-1483 [Journal] - Alexander V. Mitin, Jon Baker, Krzysztof Wolinski, Peter Pulay
Parallel stored-integral and semidirect Hartree-Fock and DFT methods with data compression. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2003, v:24, n:2, pp:154-160 [Journal] - Peter Pulay, Svein Saebo, Massimo Malagoli, Jon Baker
Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2005, v:26, n:6, pp:599-605 [Journal] - Guntram Rauhut, Andrzej A. Jarzecki, Peter Pulay
Density functional based vibrational study of conformational isomers: Molecular rearrangement of benzofuroxan. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 1997, v:18, n:4, pp:489-500 [Journal] - Guntram Rauhut, Peter Pulay, Hans-Joachim Werner
Integral transformation with low-order scaling for large local second-order Møller-Plesset calculations. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 1998, v:19, n:11, pp:1241-1254 [Journal] - Bing Wang, Ulrich Fleischer, James F. Hinton, Peter Pulay
Accurate prediction of proton chemical shifts. I. Substituted aromatic hydrocarbons. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2001, v:22, n:16, pp:1887-1895 [Journal] - Bing Wang, James F. Hinton, Peter Pulay
Accurate prediction of proton chemical shifts. II. Peptide analogues. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2002, v:23, n:4, pp:492-497 [Journal] - Krzysztof Wolinski, Robert Haacke, James F. Hinton, Peter Pulay
Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-Fock algorithm, and pseudodiagonalization. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 1997, v:18, n:6, pp:816-825 [Journal] - Kazuya Ishimura, Peter Pulay, Shigeru Nagase
A new parallel algorithm of MP2 energy calculations. [Citation Graph (0, 0)][DBLP]
Journal of Computational Chemistry, 2006, v:27, n:4, pp:407-413 [Journal]
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