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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 100, 2002 - Issue 6
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Original Articles

Multiconfigurational second-order perturbation calculation of the electronic absorption spectrum of trisilane, Si3H8

MARI CARMEN PIQUERAS Departament de Química Física i Institut de Ciència Molecular, Universitat de València, Dr. Moliner 50, E-46100, Burjassot, Valencia, Spain
,
RAÜL CRESPO Departament de Química Física i Institut de Ciència Molecular, Universitat de València, Dr. Moliner 50, E-46100, Burjassot, Valencia, Spain
&
JOSEF MICHL Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado, 80309-0215, USA
Pages 747-756 | Received 22 Jul 2001, Accepted 04 Sep 2001, Published online: 25 Nov 2009

Citations (14)

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Read on this site (1)

M. C. Piqueras, J. Michl & R. Crespo. (2006) MS-CASPT2 analysis of the UV thermochromism of octamethyltrisilane. Molecular Physics 104:5-7, pages 1107-1112.
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Articles from other publishers (13)

Annika Bande & Josef Michl. (2009) Conformational Dependence of σ‐Electron Delocalization in Linear Chains: Permethylated Oligosilanes. Chemistry – A European Journal 15:34, pages 8504-8517.
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Mari Carmen Piqueras, Raül Crespo & Josef Michl. (2008) Interpretation of the Electronic Spectra of Four Disilanes. The Journal of Physical Chemistry A 112:50, pages 13095-13101.
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Raül Crespo, Mari Carmen Piqueras & Josef Michl. (2007) Electronic excitation in a syn-tetrasilane: 1,1,2,2,3,3, 4,4-octamethyltetrasilacyclopentane. Theoretical Chemistry Accounts 118:1, pages 81-87.
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Niclas Sandström, Mari Carmen Piqueras, Henrik Ottosson & Raül Crespo. (2007) Electronic Excitations of 1,4-Disilyl-Substituted 1,4-Disilabicycloalkanes:  A MS-CASPT2 Study of the Influence of Cage Size. The Journal of Physical Chemistry A 111:14, pages 2804-2810.
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Hiroshi Kawabata, Shigekazu Ohmori, Kazumi Matsushige & Hiroto Tachikawa. (2006) The electronic structures of all trans form of permethyl-oligosilane radical cation with longer chain: A density functional theory study. Journal of Organometallic Chemistry 691:26, pages 5525-5530.
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ChunPing Li, JuCai Yang & Xue Bai. (2005) Structures and electron affinities of silicon hydrides Si4Hn (n=2–10). Journal of Molecular Structure: THEOCHEM 755:1-3, pages 65-74.
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. 2005. Organosilicon Chemistry Set. Organosilicon Chemistry Set 285 380 .
. 2005. Organosilicon Chemistry VI. Organosilicon Chemistry VI 285 380 .
Xu, Yang & Xiao. (2004) The Silicon Hydride Clusters Si 3 H n ( n ≤ 8) and Their Anions:  Structures, Thermochemistry, and Electron Affinities . The Journal of Physical Chemistry A 108:51, pages 11345-11353.
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Mari Carmen Piqueras, Raül Crespo & Josef Michl. (2003) The Transoid, Ortho, and Gauche Conformers of Decamethyl- n -tetrasilane, n -Si 4 Me 10 :  Electronic Transitions in the Multistate Complete Active Space Second-Order Perturbation Theory Description . The Journal of Physical Chemistry A 107:23, pages 4661-4668.
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David W. Rooklin, Thorsten Schepers, Mary K. Raymond-Johansson & Josef Michl. (2003) Time-dependent density functional theory treatment of the first UV absorption band in all-transoid permethyloligosilanes SinMe2n+2 (n = 2-8, 10). Photochemical & Photobiological Sciences 2:5, pages 511-517.
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Mari Carmen Piqueras, Manuela Merchán, Raül Crespo & Josef Michl. (2002) Conformational Effects on the Ultraviolet Absorption Spectrum of n -Tetrasilane:  Multistate Complete Active Space Second-Order Perturbation Theory Treatment . The Journal of Physical Chemistry A 106:42, pages 9868-9873.
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Thorsten Schepers & Josef Michl. (2002) Optimized ladder C and ladder H models for sigma conjugation: chain segmentation in polysilanes. Journal of Physical Organic Chemistry 15:8, pages 490-498.
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