A density-functional study of the atomic structures and vibrational spectra of NO/Pt(111)

Surface Science ◽

10.1016/s0039-6028(02)01658-8 ◽

2002 ◽

Vol 514 (1-3) ◽

pp. 394-403 ◽

Author(s):

H Aizawa ◽

Y Morikawa ◽

S Tsuneyuki ◽

K Fukutani ◽

T Ohno

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Atomic Structures

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Identification of Isomers from Calculated Vibrational Spectra. A Density Functional Study of Tetrachlorinated Dibenzodioxins

Journal of the American Chemical Society ◽

10.1021/ja00119a034 ◽

1995 ◽

Vol 117 (14) ◽

pp. 4167-4172 ◽

Author(s):

Guntram Rauhut ◽

Peter Pulay

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density-Functional Study of the Equilibrium Structures, Vibrational Spectra, and Energetics of CH3OBr and CH3BrO

The Journal of Physical Chemistry A ◽

10.1021/jp983216k ◽

1998 ◽

Vol 102 (48) ◽

pp. 9970-9974 ◽

Author(s):

Sujata Guha ◽

Joseph S. Francisco

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Equilibrium Structures

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ChemInform Abstract: Structure and Vibrational Spectra of the Azabenzenes. A Density Functional Study Including Exact Exchange Contributions.

10.1002/chin.199633028 ◽

2010 ◽

Vol 27 (33) ◽

pp. no-no

Author(s):

J. M. L. MARTIN ◽

C. VAN ALSENOY

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Exact Exchange ◽

Abstract Structure

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Density functional study on the structural conformations and intramolecular charge transfer from the vibrational spectra of the anticancer drug combretastatin-A2

Journal of Raman Spectroscopy ◽

10.1002/jrs.2145 ◽

2009 ◽

Vol 40 (4) ◽

pp. 419-428 ◽

Author(s):

L. Padmaja ◽

C. Ravikumar ◽

D. Sajan ◽

I. Hubert Joe ◽

V. S. Jayakumar ◽

...

Keyword(s):

Charge Transfer ◽

Anticancer Drug ◽

Vibrational Spectra ◽

Density Functional ◽

Intramolecular Charge Transfer ◽

Functional Study ◽

Density Functional Study

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Vibrational spectra and density functional study of propylgermane

Journal of Molecular Structure ◽

10.1016/s0022-2860(02)00022-4 ◽

2002 ◽

Vol 610 (1-3) ◽

pp. 85-97 ◽

Author(s):

Keijiro Taga ◽

Shigetaka Hamada ◽

Hideto Fukui ◽

Hiroshi Yoshida ◽

Keiichi Ohno ◽

...

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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Density functional study on the structures and vibrational spectra of the radical cation and dication of α,α′-bis(aminomethyl)quaterthiophene

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00440-8 ◽

2000 ◽

Vol 521 (1-3) ◽

pp. 249-260 ◽

Author(s):

V Hernández ◽

J Casado ◽

J.T López Navarrete

Keyword(s):

Radical Cation ◽

Vibrational Spectra ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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On the Electronic and Atomic Structures of Small AuN-(N= 4−14) Clusters: A Photoelectron Spectroscopy and Density-Functional Study

The Journal of Physical Chemistry A ◽

10.1021/jp035437i ◽

2003 ◽

Vol 107 (32) ◽

pp. 6168-6175 ◽

Author(s):

Hannu Häkkinen ◽

Bokwon Yoon ◽

Uzi Landman ◽

Xi Li ◽

Hua-Jin Zhai ◽

...

Keyword(s):

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Atomic Structures

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Syntheses, Molecular Structures, and Vibrational Spectra of Chloropentacarbonylrhodium(III) and -iridium(III) Undecafluorodiantimonate(V), [Rh(CO)5Cl][Sb2F11]2and [Ir(CO)5Cl][Sb2F11]2: An Experimental and Density Functional Study

Inorganic Chemistry ◽

10.1021/ic9911926 ◽

2000 ◽

Vol 39 (9) ◽

pp. 1933-1942 ◽

Author(s):

Helge Willner ◽

Christian Bach ◽

Rudolf Wartchow ◽

Changqing Wang ◽

Steven J. Rettig ◽

...

Keyword(s):

Vibrational Spectra ◽

Density Functional ◽

Molecular Structures ◽

Functional Study ◽

Density Functional Study

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A novel complex of orotic acid (vitamin B13) with nickel, [Ni(HOr)(NH3)2(H2O)2]: Crystal structure, vibrational spectra and density functional study

Vibrational Spectroscopy ◽

10.1016/j.vibspec.2009.09.003 ◽

2010 ◽

Vol 52 (1) ◽

pp. 1-9 ◽

Author(s):

Katarzyna Helios ◽

Adam Pietraszko ◽

Rafał Wysokiński ◽

Dennis P. Strommen ◽

Danuta Michalska

Keyword(s):

Crystal Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Orotic Acid ◽

Functional Study ◽

Density Functional Study ◽

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Density functional study on the structures and vibrational spectra of the radical anion and cation of biphenyl

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00153-x ◽

1998 ◽

Vol 424 (3) ◽

pp. 225-235 ◽

Author(s):

Kazuhiko Furuya ◽

Hajime Torii ◽

Yukio Furukawa ◽

Mitsuo Tasumi

Keyword(s):

Vibrational Spectra ◽

Radical Anion ◽

Density Functional ◽

Functional Study ◽

Density Functional Study

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