Infrared and Raman Spectroscopy of Diphenylsilane. Vibrational Assignment by Hartree-Fock and Density-functional Theory Calculations

Raman Spectroscopy ◽

Density Functional ◽

Vibrational Assignment ◽

Functional Theory ◽

Hartree Fock ◽

Infrared and Raman Spectroscopy of Bis(4,4-dimethyl-2,5-cyclohexadien-1-ylidene). Vibrational Assignment by Hartree−Fock and Density Functional Theory Calculations and Depolarization Method

10.1021/jp973260k ◽

1998 ◽

Vol 102 (16) ◽

pp. 2679-2684 ◽

Cited By ~ 2

Author(s):

Bong Hyun Boo ◽

Sang Yeon Lee ◽

Hoon-Kyun Na

Keyword(s):

Raman Spectroscopy ◽

Density Functional ◽

Vibrational Assignment ◽

Functional Theory ◽

Hartree Fock ◽

1,2-Dibromoethyl-trichlorosilane (CH2BrCHBrSiCl3): conformational structure and vibrational properties by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital and density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.08.003 ◽

2005 ◽

Vol 61 (7) ◽

pp. 1307-1319 ◽

Cited By ~ 2

Author(s):

Tore H. Johansen ◽

Karl Hassler ◽

Alan D. Richardson ◽

Günther Tekautz ◽

Kolbjørn Hagen

Keyword(s):

Raman Spectroscopy ◽

Gas Phase ◽

Density Functional ◽

Vibrational Properties ◽

Conformational Structure ◽

Functional Theory ◽

Infrared And Raman Spectroscopy ◽

Gas Phase Electron Diffraction

Infrared and Raman Spectroscopy of Eugenol, Isoeugenol, and Methyl Eugenol: Conformational Analysis and Vibrational Assignments from Density Functional Theory Calculations of the Anharmonic Fundamentals

10.1021/acs.jpca.5b07607 ◽

2015 ◽

Vol 119 (46) ◽

pp. 11280-11292 ◽

Cited By ~ 24

Author(s):

Babur Z. Chowdhry ◽

John P. Ryall ◽

Trevor J. Dines ◽

Andrew P. Mendham

Keyword(s):

Raman Spectroscopy ◽

Conformational Analysis ◽

Density Functional ◽

Methyl Eugenol ◽

Functional Theory ◽

Vibrational Assignments ◽

Comparative vibrational analysis of thyronine hormones using infrared and Raman spectroscopy and density functional theory calculations

Journal of Raman Spectroscopy ◽

10.1002/jrs.1239 ◽

2004 ◽

Vol 35 (11) ◽

pp. 947-955 ◽

Cited By ~ 12

Author(s):

Rosa M. S. Álvarez ◽

Ricardo N. Farías ◽

Peter Hildebrandt

Keyword(s):

Raman Spectroscopy ◽

Density Functional ◽

Vibrational Analysis ◽

Functional Theory ◽

Structural and vibrational characterization of the mono and dilithiated species derived from phenylacetonitrile in THF by infrared and Raman spectroscopy and density functional theory calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s1386-1425(01)00648-5 ◽

2002 ◽

Vol 58 (9) ◽

pp. 1971-1986 ◽

Cited By ~ 4

Author(s):

Jacques Corset ◽

Martine Castellà-Ventura ◽

Françoise Froment ◽

Tekla Strzalko ◽

Lya Wartski

Keyword(s):

Raman Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Infrared And Raman Spectroscopy ◽

Vibrational Characterization

Infrared and Raman Spectroscopy of 9,9‘-Spirobifluorene, Bis(2,2‘-biphenylene)silane, and Bis(2,2‘-biphenylene)germane. Vibrational Assignment by Depolarization Measurement and HF and Density Functional Theory Studies

10.1021/jp973159f ◽

1998 ◽

Vol 102 (7) ◽

pp. 1139-1145 ◽

Cited By ~ 8

Author(s):

Bong Hyun Boo ◽

Jaiwook Park ◽

Hwan Gon Yeo ◽

Sang Yeon Lee ◽

Chan Jo Park ◽

...

Keyword(s):

Raman Spectroscopy ◽

Density Functional ◽

Vibrational Assignment ◽

Functional Theory ◽

Formation mechanism of acetaldehyde lithium enolate by reaction ofn-butyllithium with tetrahydrofuran: infrared and Raman spectroscopy and density functional theory calculations

Journal of Raman Spectroscopy ◽

10.1002/jrs.896 ◽

2002 ◽

Vol 33 (8) ◽

pp. 652-668 ◽

Cited By ~ 14

Author(s):

Jacques Corset ◽

Martine Castellà-Ventura ◽

Françoise Froment ◽

Tekla Strzalko ◽

Lya Wartski

Keyword(s):

Raman Spectroscopy ◽

Formation Mechanism ◽

Density Functional ◽

Functional Theory ◽

Lithium Enolate ◽

Raman, Infrared, and Surface-Enhanced Raman Spectroscopy in Combination with ab Initio and Density Functional Theory Calculations on 10-Isopropyl-10H-phenothiazine-5-oxide

10.1021/jp021731j ◽

2003 ◽

Vol 107 (11) ◽

pp. 1811-1818 ◽

Cited By ~ 35

Author(s):

M. Bolboaca ◽

T. Iliescu ◽

Cs. Paizs ◽

F. D. Irimie ◽

W. Kiefer

Keyword(s):

Raman Spectroscopy ◽

Ab Initio ◽

Density Functional ◽

Surface Enhanced Raman Spectroscopy ◽

Functional Theory ◽

Surface Enhanced ◽

Surface Enhanced Raman

Stability and Raman Spectroscopy of Alkane Guest Molecules (CnHm, n≤6, m≤14) in 51262 and 51264 Water Cavities by Density Functional Theory Calculations

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb201405292 ◽

2014 ◽

Vol 30 (8) ◽

pp. 1437-1446 ◽

Cited By ~ 4

Author(s):

CAO Xiao-Xiao ◽

◽

SU Yan ◽

ZHAO Ji-Jun ◽

LIU Chang-Ling ◽

...

Keyword(s):

Raman Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Guest Molecules

Effect of Hartree–Fock pseudopotentials on local density functional theory calculations

Physical Chemistry Chemical Physics ◽

10.1039/c8cp00990b ◽

2018 ◽

Vol 20 (27) ◽

pp. 18844-18849 ◽

Cited By ~ 3

Author(s):

Hengxin Tan ◽

Yuanchang Li ◽

S. B. Zhang ◽

Wenhui Duan

Keyword(s):

Band Gap ◽

Density Functional ◽

Local Density ◽

Optimal Choice ◽

Functional Theory ◽

Hartree Fock ◽

Local Density Functional Theory ◽

Local Density Functional

Optimal choice of the element-specific pseudopotential improves the band gap.