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Author:Handy, N.C.

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16 matching references were found.

Somasundram, K.; Handy, N.C., On the assignment of the «nu»2 and «nu»3 vibrational levels of C2H+4, J. Chem. Phys., 1986, 84, 5, 2899, . [all data]

Harrison, R.J.; Handy, N.C., Full CI calculations on BH, H2O, NH3 and HF, Chem. Phys. Lett., 1983, 95, 386-391. [all data]

Harrison, R.J.; Handy, N.C., Full CI results for Be2 and (H2)2 in large basis sets, Chem. Phys. Lett., 1983, 98, 97-101. [all data]

Harrison, R.J.; Handy, N.C., Quantum Monte Carlo calculations on Be and LiH, Chem. Phys. Lett., 1985, 113, 257-263. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Taylor, P.R.; Handy, N.C.; Knowles, P.J., Benchmark full configuration-interaction calculations on HF and NH2, J. Chem. Phys., 1986, 85, 1469-1474. [all data]

Murray, C.W.; Laming, G.J.; Handy, N.C.; Amos, R.D., Structure and vibrational frequencies of diazomethylene (CNN) and diazasilene (SiNN) using nonlocal density functional theory, J. Phys. Chem., 1993, 97, 1868-71. [all data]

Amos, R.D.; Murray, C.W.; Handy, N.C., Structures and vibrational frequencies of oxygen fluoride (FOOF) and nitrosyl hypofluorite (FONO) using density-functional theory, Chem. Phys. Lett., 1993, 202, 489-94. [all data]

Bone, R.G.A.; Amos, R.D.; Handy, N.C., Ab initio studies of acetylene tetramer and pentamer, J. Chem. Soc., Faraday Trans., 1990, 86, 1931-41. [all data]

Amos, R.D.; Handy, N.C.; Palmieri, P., Vibrational properties of (R)-methylthiirane from Moeller-Plesset perturbation theory, J. Chem. Phys., 1990, 93, 5796-804. [all data]

Senekowitsch, J.; Carter, S.; Zilch, A.; Werner, H.J.; Handy, N.C.; Rosmus, P., Theoretical rotational-vibrational spectrum of hydrogen sulfide, J. Chem. Phys., 1989, 90, 783. [all data]

Lee, T.J.; Willetts, A.; Gaw, J.F.; Handy, N.C., The molecular structure and vibrational spectrum of the cyclopropeny cation, C3H3+, and its deuterated isotopomers, J. Chem. Phys., 1989, 90, 4330. [all data]

Simandiras, E.D.; Handy, N.C.; Amos, R.D., Correlated ab Initio Harmonic Frequencies and Infrared Intensities for Furan, Pyrrole, and Thiophene, J. Phys. Chem., 1988, 92, 1739. [all data]

Simandiras, E.D.; Amos, R.D.; Handy, N.C.; Lee, T.J.; Rice, J.E.; Remington, R.B.; Schaefer, H.F., Second-order peturbation theory and configuration interraction theory appli ed to medium-sized molecules: cyclopropane, ethylenimine, ethylene oxide, fluoroethane, and acetaldehyde, J. Am. Chem. Soc., 1988, 110, 1388-1393. [all data]

Handy, N.C.; Gaw, J.F.; Simandiras, E.D., Accurate ab initio prediction of molecular geometries and spectroscopic constants, using scf and mp2 energy derivatives, J. Chem. Soc., Faraday Trans., 1987, 83, 1577. [all data]

Somasunderam, K.; Amos, R.D.; Handy, N.C., Theor. Chim. Acta, 1986, 69, 491. [all data]

Amos, R.D.; Handy, N.C.; Knowles, P.J.; Rice, J.E.; Stone, A.J., AB-initio prediction of properties of carbon dioxide, ammonia, and carbon dioxide...ammonia, J. Phys. Chem., 1985, 89, 2186. [all data]