Density functional theory study of the structure and vibrational modes of acrylonitrile adsorbed on Cu(100)

Physical Chemistry Chemical Physics ◽

10.1039/c2cp42542d ◽

2013 ◽

Vol 15 (4) ◽

pp. 1288-1295 ◽

Author(s):

Sergio Díaz-Tendero ◽

Manuel Alcamí ◽

Fernando Martín

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of succinimide and N-bromosuccinimide

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2005.02.052 ◽

2005 ◽

Vol 62 (4-5) ◽

pp. 931-939 ◽

Author(s):

V. Krishnakumar ◽

R. John Xavier ◽

T. Chithambarathanu

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of vibrational spectra, and assignment of fundamental vibrational modes of 1-bromo 4-fluoronaphthalene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.07.063 ◽

2008 ◽

Vol 70 (5) ◽

pp. 991-996 ◽

Author(s):

V. Krishnakumar ◽

N. Prabavathi ◽

S. Muthunatesan

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of vibrational spectra. 3. Assignment of fundamental vibrational modes of quadricyclane

Vibrational Spectroscopy ◽

10.1016/0924-2031(96)00008-2 ◽

1996 ◽

Vol 12 (1) ◽

pp. 65-71 ◽

Author(s):

Xuefeng Zhou ◽

Ruifeng Liu

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of vibrational spectra. 8. Assignment of fundamental vibrational modes of 9,10-anthraquinone and 9,10-anthraquinone-d8

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/s0584-8539(96)01769-2 ◽

1996 ◽

Vol 52 (14) ◽

pp. 1803-1814 ◽

Author(s):

Bryan Ball ◽

Xuefeng Zhou ◽

Ruifeng Liu

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of infrared-active vibrational modes in doped poly(p-phenylene)

Synthetic Metals ◽

10.1016/s0379-6779(02)00590-8 ◽

2003 ◽

Vol 135-136 ◽

pp. 335-336

Author(s):

K. Honda ◽

Y. Furukawa

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.12.069 ◽

2007 ◽

Vol 68 (3) ◽

pp. 845-850 ◽

Author(s):

V. Krishnakumar ◽

Gabor Keresztury ◽

Tom Sundius ◽

S. Seshadri

Keyword(s):

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Vibrational Modes ◽

Density Functional Theory Study ◽

Functional Theory

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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