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3 research outputs found
Interaction of Transition Metal Clusters with Atoms, Molecules and Surfaces
Author
B Delley
B Delley
+21 more
C.W. Bauschlicher
CC Roothaan
CI methods can also be effectively employed
CM Rohlfing
DE Ellis
EK Parks
FL Pilar
For a recent review on metal cluster calculations.see M.D.
For example in PtH2(PH3)
HP Cheng
JC Bertolini
MR Press
P Hohenberg
R Hoffmann
R Krishnan
R.F.W. Bader
R.L. Whetten
R.S. Mulliken
RJ Bartlett
S. Nonose
W.A. Goddard
Publication venue
'Springer Science and Business Media LLC'
Publication date
01/01/1992
Field of study
No full text
Crossref
Semiempirical Quantum-Chemical Studies of Catalysts with Transition Metals: EHT and Related Approaches
Author
AB Anderson
AB Anderson
+41 more
AB Anderson
B Meyer
CC Roothaan
DC Clary
E.B. Wilson
EB Wilson
H Haberlandt
H Haberlandt
J Gerratt
J Gerratt
JW Mclver Jr.
JW Mclver Jr.
K Fukui
K Fukui
M Goeppert-Mayer
M Simonetta
MJ Dewar
P Pulay
P Pulay
P Pulay
R Carb
R Hoffmann
S Beran
S Beran
S Beran
S Beran
S Beran
TR Ferguson
WL Bloemer
Z Parra
Z Slanina
Z Slanina
Z Slanina
Z Slanina
Z Slanina
Z Slanina
Z Slanina
Z Slanina
Z Slanina
Z. Slanina
Z. Slanina
Publication venue
'Springer Science and Business Media LLC'
Publication date
01/01/1992
Field of study
No full text
Crossref
Quantum chemical treatment of β-sitosterol molecule
Author
Allinger NL
Awad AB
+36 more
Awad AB
Becke AD
Berge KE
Bosner MS
Bouic PJ
Denis PA
Duester KC
Fernandez ML
Figen Erkoç
Gylling H
Hehre WJ
Jansen PJ
Jayaprakasha GK
Jourdain C
Kidambi S
Kohn W
Lee C
Leitzmann C
Ling WH
Moon DO
Ovesná Z
Patch CS
Pegel KH
Reynolds TM
Roothaan CC
Rudkowska I
Ryan E
Scott AP
Sevil Kurban
Stewart JJP
Stewart JJP
Stone NJ
Tejero I
Vecka M
Yoshida M
Şakir Erkoç
Publication venue
'Informa UK Limited'
Publication date
Field of study
No full text
Crossref