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De Brouckère, G. (1984) One-electron properties at the SCF ab-initio level. Journal of Molecular Structure: THEOCHEM, 107. 275-276 doi:10.1016/0166-1280(84)80067-6

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Reference TypeJournal (article/letter/editorial)
TitleOne-electron properties at the SCF ab-initio level
JournalJournal of Molecular Structure: THEOCHEM
AuthorsDe Brouckère, G.Author
Year1984 (February)Volume107
PublisherElsevier BV
DOIdoi:10.1016/0166-1280(84)80067-6Search in ResearchGate
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Mindat Ref. ID8776495Long-form Identifiermindat:1:5:8776495:4
GUID0
Full ReferenceDe Brouckère, G. (1984) One-electron properties at the SCF ab-initio level. Journal of Molecular Structure: THEOCHEM, 107. 275-276 doi:10.1016/0166-1280(84)80067-6
Plain TextDe Brouckère, G. (1984) One-electron properties at the SCF ab-initio level. Journal of Molecular Structure: THEOCHEM, 107. 275-276 doi:10.1016/0166-1280(84)80067-6
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 107. Elsevier BV

See Also

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Hinchliffe, Alan (1984) Hydrogen bonding in cyclopropane⋯HCN; an ab initio SCF-MO study. Journal of Molecular Structure: THEOCHEM, 108. 313-316 doi:10.1016/0166-1280(84)85016-2
Kochanski, E. (1984) Intermolecular interactions : use of small basis sets in ab initio calculations. Journal of Molecular Structure: THEOCHEM, 107. 49-57 doi:10.1016/0166-1280(84)80036-6
Kaliannan, P., Vishveshwara, S., Rao, V.S.R. (1984) Ab initio SCF-MO study on difluoromethanediol and difluorodimethoxymethane. Journal of Molecular Structure: THEOCHEM, 108. 281-291 doi:10.1016/0166-1280(84)85012-5
de Paz, J.L.G., Yañez, M. (1984) On the use of bond functions, as polarization functions, in ab initio calculations. Journal of Molecular Structure: THEOCHEM, 107. 59-62 doi:10.1016/0166-1280(84)80037-8
McC., B.J. (1984) Ab initio molecular orbital calculations for chemists. Journal of Molecular Structure: THEOCHEM, 106. 368pp. doi:10.1016/0166-1280(84)85042-3
Bernardi, Fernando, Bottoni, Andrea, Tonachini, Glauco (1981) A comparative analysis of various gradient methods for geometry optimization at the ab initio SCF-MO level. Journal of Molecular Structure: THEOCHEM, 86. 123-129 doi:10.1016/0166-1280(81)85078-6
Kelterer, Anne-Marie, Flock, Michaela, Ramek, Michael (1992) Ab initio SCF investigation of 3-aminopropanol and 3-aminopropanal. Journal of Molecular Structure: THEOCHEM, 276. 35-59 doi:10.1016/0166-1280(92)80022-e
Cervellati, R., Lister, D.G., Palmieri, P. (1984) Ab initio force field for thiazyl chloride. Journal of Molecular Structure: THEOCHEM, 108. 321-323 doi:10.1016/0166-1280(84)85018-6
Ha, Tae-Kyu, Nguyen, Minh Tho, Ruelle, Paul (1984) An ab initio SCF study of molecular structures and electronic properties of N-nitrosoamines, RR NNO (R  H, CH3). Journal of Molecular Structure: THEOCHEM, 109. 339-350 doi:10.1016/0166-1280(84)80018-4
Ramek, Michael (1990) Ab initio SCF investigation of β-alanine. Journal of Molecular Structure: THEOCHEM, 208. 301-355 doi:10.1016/0166-1280(90)80014-f
Huber, Hanspeter (1981) Geometry optimization in ab initio SCF calculations. Journal of Molecular Structure: THEOCHEM, 76. 277-284 doi:10.1016/0166-1280(81)85004-x
 
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