41 |
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Ab initio CCSD(T) and MRD-CI study of excited states and the electronic spectrum of linear C5+/
|
Schnell, Melanie
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North Holland
|
2001
|
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42 |
|
Ab initio characterization of HBrO~2 isomers: implications for stratospheric bromine chemistry
|
Lee, T. J.
|
North Holland
|
1996
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43 |
|
Ab initio characterization of the ion P~2O^+
|
Aquino, A. J. A. Taylor, P. R.
|
North Holland
|
1996
|
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44 |
|
Ab initio characterization of the xenon dihydride dimer - (HXeH)2
|
Lundell, J
|
North Holland
|
2003
|
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45 |
|
Ab initio cluster model calculations on the vibrational frequencies of TeO~2 glass
|
Uchino, T
|
North-Holland
|
1980
|
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46 |
|
Ab initio computational study of selected C~6~0H~6 isomers
|
Cahill, P. A.
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North Holland
|
1996
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47 |
|
Ab initio computational study of the interaction of Cl atoms with HI, CH~3I and CH~3OCH~2I
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Papagiannakopoulos, P. Lazarou, Y. G. Kambanis, K. G.
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North Holland
|
1997
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48 |
|
Ab initio computation of molecular singlet-triplet energy differences using auxiliary field Monte Carlo/
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Baer, Roi
|
North Holland
|
2001
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49 |
|
Ab initio conformational study of 2,2':5',2"-terthiophene
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La Manna, G. Ciofalo, M.
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North Holland
|
1996
|
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50 |
|
Ab initio design on new push-pull sila- and germastilbene
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Amatatsu, Y
|
North Holland
|
2003
|
|
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51 |
|
Ab initio design on new push-pull sila- and germastilbene
|
Amatatsu, Y
|
North Holland
|
2003
|
|
|
52 |
|
Ab initio dipole moment function of H2S/
|
Cours, Thibaud
|
North Holland
|
2000
|
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53 |
|
Ab initio electron affinities of AlH, SiH, GaH, and GeH, including characterization of bound excited states of SiH- and GeH-/
|
Woon, D E
|
North Holland
|
2001
|
|
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54 |
|
Ab initio electronic structure studies of Na2OH and its anion
|
Choi, Cheol Ho
|
North Holland
|
2001
|
|
|
55 |
|
Ab initio gradient corrected density functional molecular dynamics: investigation of structural and dynamical properties of the Li~8 cluster
|
Reichardt, D
|
North Holland
|
1997
|
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|
56 |
|
Ab initio g-tensor calculations of hydrogen bond effects on a nitroxide spin label/
|
Engstr�m, Maria
|
North Holland
|
2001
|
|
|
57 |
|
Ab initio Hartree-Fock molecular dynamics with parallel processing: application to small neutral and charged Li~n clusters
|
Bonacic-Koutecky, V. Jellinek, J. Fantucci, P. Wiechert, M.
|
North Holland
|
1996
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|
|
58 |
|
Ab initio infrared spectrum of liquid water
|
Bernasconi, M. Parrinello, M. Silvestrelli, P. L.
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North Holland
|
1997
|
|
|
59 |
|
Ab initio investigation of elastic constants of superconducting MgB2/
|
Islam, A K M A
|
North-Holland
|
2001
|
|
|
60 |
|
Ab initio investigation of the sum-frequency hyperpolarizability of small chiral molecules/
|
Champagne, Benoit
|
North Holland
|
2000
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