Application of SCF-perturbation theory to hydrogen bonding in water dimers

Reiner Sustmann; Fritz Vahrenholt

doi:10.1007/bf00532186

Application of SCF-perturbation theory to hydrogen bonding in water dimers

Theoretica Chimica Acta ◽

10.1007/bf00532186 ◽

1973 ◽

Vol 29 (4) ◽

pp. 305-311 ◽

Cited By ~ 17

Author(s):

Reiner Sustmann ◽

Fritz Vahrenholt

Keyword(s):

Hydrogen Bonding ◽

Perturbation Theory ◽

Scf Perturbation Theory ◽

Water Dimers

Application of intermolecular SCF-perturbation theory to the regioselectivity in the Diels-Alder reaction

Theoretica Chimica Acta ◽

10.1007/bf00547252 ◽

1976 ◽

Vol 43 (2) ◽

pp. 121-135 ◽

Cited By ~ 10

Author(s):

Vinzenz Bachler ◽

Franz Mark

Keyword(s):

Perturbation Theory ◽

Alder Reaction ◽

Diels Alder ◽

Diels Alder Reaction ◽

Scf Perturbation Theory

Application of multiple SCF perturbation theory to the tensors which describe the magnetic shielding and the multipole magnetizabilities of molecules

Molecular Physics ◽

10.1080/00268977700100571 ◽

1977 ◽

Vol 33 (3) ◽

pp. 619-629 ◽

Cited By ~ 14

Author(s):

J.P. Riley ◽

W.T. Raynes

Keyword(s):

Perturbation Theory ◽

Magnetic Shielding ◽

Scf Perturbation Theory

Cooperative effects in hydrogen bonding: Fourth‐order many‐body perturbation theory studies of water oligomers and of an infinite water chain as a model for ice

The Journal of Chemical Physics ◽

10.1063/1.467942 ◽

1994 ◽

Vol 101 (11) ◽

pp. 9766-9782 ◽

Cited By ~ 48

Author(s):

Sándor Suhai

Keyword(s):

Hydrogen Bonding ◽

Perturbation Theory ◽

Fourth Order ◽

Many Body ◽

Cooperative Effects ◽

Water Chain ◽

Many Body Perturbation Theory

Calculation of frequency-dependent polarizabilities by means of SCF perturbation theory

Chemical Physics Letters ◽

10.1016/0009-2614(79)80676-4 ◽

1979 ◽

Vol 61 (2) ◽

pp. 413-416 ◽

Cited By ~ 20

Author(s):

D.P. Santry ◽

T.E. Raidy

Keyword(s):

Perturbation Theory ◽

Frequency Dependent ◽

Scf Perturbation Theory

Application of SCF perturbation theory to the study of tetrahedrally bonded valence crystals

Theoretica Chimica Acta ◽

10.1007/bf00552493 ◽

1978 ◽

Vol 50 (1) ◽

pp. 39-48 ◽

Cited By ~ 3

Author(s):

Masao Hashimoto ◽

David P. Santry

Keyword(s):

Perturbation Theory ◽

Scf Perturbation Theory ◽

Tetrahedrally Bonded

Application of SCF perturbation theory to molecular calculations

Theoretica Chimica Acta ◽

10.1007/bf00548291 ◽

1976 ◽

Vol 42 (1) ◽

pp. 67-75 ◽

Cited By ~ 15

Author(s):

David P. Santry

Keyword(s):

Perturbation Theory ◽

Scf Perturbation Theory ◽

Molecular Calculations

Extending the ONIOM integrated MO/MO approach to hydrogen bonding in biologic systems: Serine-water and threonine-water dimers

International Journal of Quantum Chemistry ◽

10.1002/qua.10725 ◽

2003 ◽

Vol 96 (4) ◽

pp. 294-302 ◽

Cited By ~ 7

Author(s):

Brian W. Hopkins ◽

Gregory S. Tschumper

Keyword(s):

Hydrogen Bonding ◽

Water Dimers

Application of second-order SCF perturbation theory to the calculation of mixed-frequency hyperpolarizabilities from time-dependent Hartree-Fock theory

Theoretica Chimica Acta ◽

10.1007/bf00548825 ◽

1979 ◽

Vol 53 (2) ◽

pp. 121-128 ◽

Cited By ~ 2

Author(s):

David P. Santry ◽

Thomas E. Raidy

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Time Dependent ◽

Mixed Frequency ◽

Hartree Fock ◽

Scf Perturbation Theory

Calculation of molecular geometries by SCF perturbation theory

Chemical Physics Letters ◽

10.1016/0009-2614(73)89504-1 ◽

1973 ◽

Vol 22 (2) ◽

pp. 447-449

Author(s):

S O'Shea

Keyword(s):

Perturbation Theory ◽

Scf Perturbation Theory

Blue-Shifting or Red-Shifting Hydrogen Bonding? Predictions for Haloform Complexes with Dimethyl Ether on the Basis of Perturbation Theory

The Journal of Physical Chemistry A ◽

10.1021/jp049365m ◽

2004 ◽

Vol 108 (28) ◽

pp. 6059-6064 ◽

Cited By ~ 44

Author(s):

Wouter A. Herrebout ◽

Sofie N. Delanoye ◽

Benjamin J. van der Veken

Keyword(s):

Hydrogen Bonding ◽

Perturbation Theory ◽

Dimethyl Ether