Trends in the electronic and vibrational contributions to the dipole moment, polarizabilities, and first and second hyperpolarizabilities of the hydrides of Li, Na and K (English)
- New search for: Avramopoulos, A.
- New search for: Avramopoulos, A.
- New search for: Papadopoulos, M.G.
In:
Molecular physics
;
100
, 6
; 821-834
;
2002
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ISSN:
- Article (Journal) / Print
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Title:Trends in the electronic and vibrational contributions to the dipole moment, polarizabilities, and first and second hyperpolarizabilities of the hydrides of Li, Na and K
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Contributors:Avramopoulos, A. ( author ) / Papadopoulos, M.G.
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Published in:Molecular physics ; 100, 6 ; 821-834
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Publisher:
- New search for: Taylor & Francis
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Place of publication:London
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Publication date:2002
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 35.10 / 33.30 / 42.12
- Further information on Basic classification
- New search for: 275/3465
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Keywords:
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Classification:
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Source:
Table of contents – Volume 100, Issue 6
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 699
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What is so mysterious about the electronic states of SCl?Machado, Francisco B.C. et al. | 2002
- 699
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What is so mysterious about the electronic states of SCI?MACHADO, FRANCISCO B. C. / RESENDE, STELLA MARIS / ORNELLAS, FERNANDO R. et al. | 2002
- 705
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Natural J coupling (NJC) analysis of the electron lone pair effect on NMR couplings: 2. The anomeric effects on 1 J (C, H) couplings and its dependence on solventZACCARI, DANIEL G. / SNYDER, JAMES P. / PERALTA, JUAN E. / TAURIAN, OSCAR E. / CONTRERAS, RUBÉN H. / BARONE, VERÓNICA et al. | 2002
- 717
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Extended Hartree—Fock (EHF) theory of chemical reactions VI: hybrid DFT and post-Hartree—Fock approaches for concerted and non-concerted transition structures of the Diels—Alder reactionISOBE, H. / TAKANO, Y. / KITAGAWA, Y. / KAWAKAMI, T. / YAMANAKA, S. / YAMAGUCHI, K. / HOUK, K. N. et al. | 2002
- 729
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A CASCI-MRMP method based on Kohn—Sham orbitalsNAKAO, YOSHIHIDE / CHOE, YOONG-KEE / NAKAYAMA, KENICHI / HIRAO, KIMIHIKO et al. | 2002
- 747
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Multiconfigurational second-order perturbation calculation of the electronic absorption spectrum of trisilane, Si3H8PIQUERAS, MARI CARMEN / CRESPO, RAÜL / MICHL, JOSEF et al. | 2002
- 757
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Electron pairs, localized orbitals and electron correlationBYTAUTAS, LAIMUTIS / RUEDENBERG, KLAUS et al. | 2002
- 783
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Assessment of parametrized core correlation schemes in Gaussian-3 theoryREDFERN, PAUL C. / CURTISS, LARRY A. / RAGHAVACHARI, KRISHNAN et al. | 2002
- 791
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Quantum chemical modelling of reactivity and selectivity of 1, 2-dithiolanes towards retroviral and cellular zinc fingersTOPOL, IGOR A. / NEMUKHIN, ALEXANDER V. / BURT, STANLEY K. et al. | 2002
- 799
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Interatomic interactions and the Cotton—Mouton effect for heliumRIZZO, ANTONIO / RUUD, KENNETH / BISHOP, DAVID M. et al. | 2002
- 809
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Electronic states and transitions of the TeX (XRai, Vidisha et al. | 2002
- 809
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Electronic states and transitions of the TeX (X = C1, Br, I) radicalsRAI, VIDISHA / LIEBERMAN, HEINZ-PETER / BUENKER, ROBERT J. / ALEKSEYEV, ALEKSEY B. / ZELLNER, REINHARD et al. | 2002
- 821
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Trends in the electronic and vibrational contributions to the dipole moment, polarizabilities, and first and second hyperpolarizabilities of the hydrides of Li, Na and KAVRAMOPOULOS, A. / PAPADOPOULOS, M. G. et al. | 2002
- 835
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Vertical ionization potentials of ethylene: the right answer for the right reason?YAU, ANTHONY D. / PERERA, S. AJITH / BARTLETT, RODNEY J. et al. | 2002
- 843
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Ab initio model potentials for the alkaline-earth trimers Be3, Mg3, and Ca3KAPLAN, I. G. / MURRELL, J. N. / ROSZAK, S. / LESZCZYNSK, J. et al. | 2002
- 851
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The correcting method for the estimation of correlation energies of MF2 (MZhuo, Shuping et al. | 2002
- 851
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The correcting method for the estimation of correlation energies of MF2 (M = Be, Mg, Ca) set moleculesZHUO, SHUPING / WEI, JICHONG / JU, GUANZHI et al. | 2002
- 859
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On the application of Brillouin—Wigner perturbation theory to multireference configuration mixingHUBAČ, I. / MACH, P. / WILSON, S. et al. | 2002
- 865
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Theoretical investigation of the transition states leading to HCl elimination in 2-chloropropeneParsons, Bradley F. et al. | 2002
- 865
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Theoretical investigation of the transition states leading to HCI elimination in 2-chloropropenePARSONS, BRADLEY F. / BUTLER, LAURIE J. / RUSCIC, BRANKO et al. | 2002
- 875
-
Ab initio study of superoxide anion-water clusters O-2 (H2O) nLee, Han Myoung et al. | 2002
- 875
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Ab initio study of superoxide anion—water clusters O2 − (H2O)n=1-5LEE, HAN MYOUNG / KIM, KWANG S. et al. | 2002
- 881
-
Isotope effect and cluster size dependence for water and hydrated hydrogen halide clusters: multi-component molecular orbital approachTACHIKAWA, MASANORI et al. | 2002
- 903
-
Quasi diabatic CASSCF state functionsFÜLSCHER, MARKUS P. / SERRANO-ANDRÉS, LUIS et al. | 2002
- 911
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Full configuration interaction studies of phonon and photon transition rates in semiconductor quantum dotsBRASKÉN, M. / CORNI, S. / LINDBERG, M. / OLSEN, J. / SUNDHOLM, D. et al. | 2002
- 919
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Efficiency of a controlled use of Davidson's correction for the calculation of excitation energies: vertical spectrum of trans-butadieneCABRERO, JESÚS / CABALLOL, ROSA / MALRIEU, JEAN-PAUL et al. | 2002
- ebi
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Editorial Board| 2002