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Advances in Quantum Chemistry
Latest Publications
TOTAL DOCUMENTS
22
(FIVE YEARS 0)
H-INDEX
7
(FIVE YEARS 0)
Published By Elsevier
9780120348336
Latest Documents
Most Cited Documents
Contributed Authors
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Related Keywords
Latest Documents
Most Cited Documents
Contributed Authors
Related Sources
Related Keywords
On the Electronic Structure of ScB+: Ground and Low-Lying Excited States
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60407-4
◽
1998
◽
pp. 69-91
◽
Cited By ~ 8
Author(s):
Apostolos Kalemos
◽
Aristides Mavridis
Keyword(s):
Electronic Structure
◽
Excited States
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Edited by
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60400-1
◽
1998
◽
pp. iii
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Ab Initio Determination of Band Structures of Vibrational Spectra of Non-Rigid Molecules. Applications to Methylamine and Dimethylamine
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60411-6
◽
1998
◽
pp. 145-166
◽
Cited By ~ 3
Author(s):
Y.G. Smeyers
◽
M.L. Senent
◽
M. Villa
Keyword(s):
Ab Initio
◽
Vibrational Spectra
◽
Band Structures
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Index
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60420-7
◽
1998
◽
pp. 331-338
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Gauge Invariance and Multipole Moments
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60412-8
◽
1998
◽
pp. 167-180
◽
Cited By ~ 9
Author(s):
R.G. Woolley
Keyword(s):
Gauge Invariance
◽
Multipole Moments
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Modern VB representations of CASSCF wave functions and the fully-variational optimization of modern VB wave functions using the CASVB strategy
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60406-2
◽
1998
◽
pp. 51-67
◽
Cited By ~ 59
Author(s):
David L. Cooper
◽
Thorstein Thorsteinsson
◽
Joseph Gerratt
Keyword(s):
Wave Functions
◽
Variational Optimization
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Workshop Participants
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60404-9
◽
1998
◽
pp. xvii-xix
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Gas-phase Conformational Analysis of (R,R)-Tartaric Acid, its Diamide, N,N,N′,N′- Tetramethyldiamide and Model Compounds
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60409-8
◽
1998
◽
pp. 109-125
◽
Cited By ~ 8
Author(s):
Marcin Hoffmann
◽
Agnieszka Szarecka
◽
Jacek Rychlewski
Keyword(s):
Conformational Analysis
◽
Gas Phase
◽
Tartaric Acid
◽
Model Compounds
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On the effects of basis set truncation and electron correlation in conformers of 2-hydroxy-acetamide
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60408-6
◽
1998
◽
pp. 93-107
◽
Cited By ~ 1
Author(s):
A. Szarecka
◽
G. Day
◽
P.J. Grout
◽
S. Wilson
Keyword(s):
Electron Correlation
◽
Basis Set
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Beyond the transition state treatment
Advances in Quantum Chemistry
◽
10.1016/s0065-3276(08)60419-0
◽
1998
◽
pp. 315-330
◽
Cited By ~ 1
Author(s):
Jan Linderberg
Keyword(s):
Transition State
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