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Author:Pulay, P.

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16 matching references were found.

Van Lenthe, J.H.; Verbeek, J.; Pulay, P., Convergence and efficiency of the valence bond self-consistent field method, Mol. Phys., 1991, 73, 1159-1170. [all data]

Zhou, X.; Pulay, P.; Hargitai, R.; Stirling, A.; Mink, J., Complete assignment of vibrational spectra of 1,5-cyclooctadiene - a theoretical and experimental infrared and Raman study, Spectrochim. Acta, Part A, 1993, 49, 257-70. [all data]

Hamilton, T.P.; Pulay, P., Ab initio force constants and the reassignment of the vibrational spectra of all-trans- and all-cis-1,3,5,7-octatetraene, J. Phys. Chem., 1989, 93, 2341. [all data]

Fogarasi, G.; Szalay, P.G.; Liescheski, P.P.; Boggs, J.E.; Pulay, P., J. Mol. Struct., 1987, 151, 341. [all data]

Sellers, H.; Pulay, P.; Boggs, J.E., J. Am. Chem. Soc., 1985, 107, 6487. [all data]

Pongor, G.; Fogarasi, G.; Boggs, J.E.; Pulay, P., Theoretical Prediction of Vibrational Spectra: The Out-of-Plane Force Field and Vibrational Spectra of Pyridine, J. Mol. Spectrosc., 1985, 114, 445. [all data]

Pongor, G.; Pulay, P.; Fogarasi, G.; Boggs, J.E., Theoretical prediction of vibrational spectra. 1. The in-plane force field and vibrational spectra of pyridine, J. Am. Chem. Soc., 1984, 106, 2765. [all data]

Klimkowski, V.J.; Pulay, P.; Ewbank, J.D.; McKean, D.C.; Schafer, L., J. Comput. Chem., 1984, 5, 512-22. [all data]

Pulay, P.; Fogarasi, G.; Pongor, G.; Boggs, J.E.; Vargha. A., J. Am. Chem. Soc., 1983, 105, 7037. [all data]

Fogarasi, G.; Boggs, J.E.; Pulay, P., Mol. Phys., 1983, 50, 139. [all data]

Banhegyi, G.; Pulay, P.; Fogarasi, G., Ab initio study of the vibrational spectrum and geometry of oxetane.-I. Int erpretation of the vibrational spectra, Spectrochim. Acta, Part A, 1983, 39, 761-769. [all data]

Banhegyi, G.; Fogarasi, G.; Pulay, P., J. Mol. Struct., 1982, 89, 1. [all data]

Panchenko, Y.N.; Pulay, P.; Torok, F., J. Mol. Struct., 1976, 34, 283. [all data]

Pulay, P.; Torok, F., Force constants, vibrational assignment, and geometry of methyl amine from Hartree-Fock calculations., J. Mol. Struct., 1975, 29, 239. [all data]

Torok, F.; Hegedus, A.; Pulay, P., Calculation of fully optimized geometries of five- and six-membered heterocycles by the CNDO force method, Theor. Chim. Acta, 1973, 32, 145-150. [all data]

Pulay, P.; Liu, R.-F., Methods for Finding Unrestricted Hartree-Fock Solutions and Multiple Solutions, J. Am. Phys. CHem., 1990, 94, 5548-51. [all data]