21 |
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Ab initio calculation of the torsional potential for 2-alkenylanthracene in the ground and excited states/
|
Sakata, Ken
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North Holland
|
2001
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|
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22 |
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Ab initio calculations and quantum statistical analysis of the SiH~3+NO reaction
|
Nguyen, M. T. Sengupta, D.
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North Holland
|
1997
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|
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23 |
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Ab initio calculations and spectral simulation of the A2A'->X@62 "emission of the HPCl radical/
|
Lee, Edmond P F
|
North Holland
|
2001
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24 |
|
Ab initio calculations of doubly resonant sum-frequency generation second-order polarizabilities of LiH/
|
Zalesny, R
|
North Holland
|
2003
|
|
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25 |
|
Ab initio calculations of the anionic sodium-ammonia complex
|
Ritze, H.-H.
|
North Holland
|
1997
|
|
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26 |
|
Ab initio calculations of the electronic and structural properties of beryllium-, magnesium- and calcium-nitrides/
|
Mokhtari, A
|
North-Holland
|
2003
|
|
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27 |
|
Ab initio calculations of the electronic structure of the silver palladium oxide Ag2PdO2/
|
Yu, L. H
|
North-Holland
|
2003
|
|
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28 |
|
Ab initio calculations of the energies of the ring-opened and ring-closed isomers of C~2H~4S^+^*
|
Belbruno, J. J.
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North Holland
|
1996
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29 |
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Ab initio calculations of the ground and excited states of I^-~2 and ICl^
|
Parson, R. Maslen, P. E. Faeder, J.
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North Holland
|
1996
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30 |
|
Ab initio calculations of the potential energy surface for the reaction N(2D)+CH3F/
|
Zhou, Xiaoguo
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North Holland
|
2001
|
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31 |
|
Ab initio calculations of the ring-opened and ring-closed isomers of C~2H~4O^+: the need for high level electron correlation techniques
|
BelBruno, J. J.
|
North Holland
|
1996
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|
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32 |
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Ab initio calculations of the structures and energies of gas phase isomeric C~3N~4 molecules
|
BelBruno, J. J.
|
North Holland
|
1997
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33 |
|
Ab initio calculations of the vibrational contributions to the static dipole polarizability of CO~2 and CS~2
|
Blain, M. Bras, N. Leclercq, J.-M. Guerreiro, M.
|
North Holland
|
1997
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34 |
|
Ab initio calculations of three-photon absorption
|
Cronstrand, P
|
North Holland
|
2003
|
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35 |
|
Ab initio calculations of vibronic coupling. Applications to symmetry-forbidden vibronic spectra and internal conversion in ethylene
|
Hayashi, M. Mebel, A. M. Lin, S. H.
|
North Holland
|
1997
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36 |
|
Ab initio calculations on 2-imidazolyl-2-thiazolyl azo compounds - an investigation of potential near-infrared absorbing structures/
|
�strand, Per-Olof
|
North Holland
|
2001
|
|
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37 |
|
Ab initio calculations on indole-water, 1-methylindole-water and indole-(water)2
|
Mourik, Tanja van
|
North Holland
|
2000
|
|
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38 |
|
Ab initio calculations on the inclusion complexation of cyclobis(paraquat-p-phenylene)/
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Zhang, Ke-Chun
|
North Holland
|
2001
|
|
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39 |
|
Ab initio calculations on the structure, vibrational frequencies, and valence excitation energies of the benzene...Ar and benzene...Ar~2 cluster
|
Selzle, H. L. Hobza, P. Bludsky, O. Schlag, E. W.
|
North Holland
|
1996
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|
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40 |
|
Ab initio CASSCF and MRSDCI calculations of the (C~6H~6)^+~2 radical
|
Sumi, T. Miyoshi, E. Sakai, Y. Ichikawa, T.
|
North Holland
|
1997
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