The cis form of N-methylthiourea in the solid state: Raman spectroscopy, X-ray diffraction and ab initio molecular orbital calculations

Y. Mido; H. Okada; N. Fujita; I. Kitagawa; T. Kitahata; M. Hashimoto; H. Yoshida; H. Matsuura

doi:10.1016/s0022-2860(97)00100-2

The cis form of N-methylthiourea in the solid state: Raman spectroscopy, X-ray diffraction and ab initio molecular orbital calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00100-2 ◽

1997 ◽

Vol 415 (3) ◽

pp. 215-223 ◽

Cited By ~ 6

Author(s):

Y. Mido ◽

H. Okada ◽

N. Fujita ◽

I. Kitagawa ◽

T. Kitahata ◽

...

Keyword(s):

Raman Spectroscopy ◽

Solid State ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

X Ray Diffraction ◽

X Ray

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Molecular and electronic structure of (L-histidinato)pentammineruthenium(III) chloride monohydrate, (H3N)5RuIII(his)Cl3·H2O. X-ray structure, single-crystal polarized charge-transfer spectra, and ab initio and semiempirical molecular orbital calculations

Journal of the American Chemical Society ◽

10.1021/ja00257a020 ◽

1987 ◽

Vol 109 (23) ◽

pp. 7025-7031 ◽

Cited By ~ 30

Author(s):

Karsten Krogh-Jespersen ◽

John D. Westbrook ◽

Joseph A. Potenza ◽

Harvey J. Schugar

Keyword(s):

Electronic Structure ◽

Charge Transfer ◽

Single Crystal ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

X Ray ◽

Chloride Monohydrate ◽

Molecular And Electronic Structure ◽

Semiempirical Molecular Orbital

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Vinyl dichlorosilane and vinyl dibromosilane (H2CCH–SiHX2,X=Cl,Br): conformational structure and vibrational properties determined by gas-phase electron diffraction, ab initio molecular orbital calculations, and variable-temperature Raman spectroscopy

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00390-2 ◽

2000 ◽

Vol 550-551 ◽

pp. 257-279 ◽

Cited By ~ 9

Author(s):

T.H. Johansen ◽

K. Hagen ◽

K. Hassler ◽

A.D. Richardson ◽

U. Pätzold ◽

...

Keyword(s):

Raman Spectroscopy ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Variable Temperature ◽

Vibrational Properties ◽

Molecular Orbital Calculations ◽

Conformational Structure ◽

Gas Phase Electron Diffraction

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Comparative X-ray Diffraction Studies and Molecular Orbital Calculations on Diazinium Dicyanomethylides

Supramolecular Chemistry ◽

10.1080/10610270108034886 ◽

2001 ◽

Vol 13 (1) ◽

pp. 93-102 ◽

Cited By ~ 2

Author(s):

Kiyoshi Matsumoto ◽

Takane Uchida ◽

Mituso Toda ◽

Naoto Hayashi ◽

Yukio Ikemi ◽

...

Keyword(s):

Molecular Orbital ◽

Molecular Orbital Calculations ◽

X Ray Diffraction ◽

X Ray

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Solid-State Hydration/Dehydration of Erythromycin A Investigated by ab Initio Powder X-ray Diffraction Analysis: Stoichiometric and Nonstoichiometric Dehydrated Hydrate

Crystal Growth & Design ◽

10.1021/cg400121u ◽

2013 ◽

Vol 13 (5) ◽

pp. 2060-2066 ◽

Cited By ~ 35

Author(s):

Kotaro Fujii ◽

Masahide Aoki ◽

Hidehiro Uekusa

Keyword(s):

Solid State ◽

Diffraction Analysis ◽

Ab Initio ◽

X Ray Diffraction ◽

X Ray ◽

Erythromycin A

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Characterization of LaCrO4and NdCrO4by XRD, Raman Spectroscopy, and ab Initio Molecular Orbital Calculations

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.73.1197 ◽

2000 ◽

Vol 73 (5) ◽

pp. 1197-1203 ◽

Cited By ~ 19

Author(s):

Yoshitaka Aoki ◽

Hidetaka Konno ◽

Hiroto Tachikawa ◽

Michio Inagaki

Keyword(s):

Raman Spectroscopy ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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A Solid-State NMR, X-ray Diffraction, and ab Initio Computational Study of Hydrogen-Bond Structure and Dynamics of Pyrazole-4-Carboxylic Acid Chains

Journal of the American Chemical Society ◽

10.1021/ja002688l ◽

2001 ◽

Vol 123 (32) ◽

pp. 7898-7906 ◽

Cited By ~ 64

Author(s):

Concepción Foces-Foces ◽

Aurea Echevarría ◽

Nadine Jagerovic ◽

Ibon Alkorta ◽

José Elguero ◽

...

Keyword(s):

Hydrogen Bond ◽

Solid State ◽

Carboxylic Acid ◽

Ab Initio ◽

Solid State Nmr ◽

Computational Study ◽

X Ray Diffraction ◽

X Ray ◽

Structure And Dynamics

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ChemInform Abstract: A Solid-State NMR, X-Ray Diffraction, and ab initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters.

ChemInform ◽

10.1002/chin.200826020 ◽

2008 ◽

Vol 39 (26) ◽

Author(s):

Todd M. Alam ◽

Jacalyn S. Clawson ◽

Francois Bonhomme ◽

Steven G. Thoma ◽

Mark A. Rodriguez ◽

...

Keyword(s):

Solid State ◽

Ab Initio ◽

Solid State Nmr ◽

X Ray Diffraction ◽

X Ray

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On the structure of bis(9-fluorenyl)dimethylsilane: a sterically crowded molecule with relatively low barriers of rotations around the Si−C(fluorenyl) bonds X-ray diffraction analysis and AM1 molecular orbital calculations

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(97)00228-3 ◽

1997 ◽

Vol 545-546 ◽

pp. 1-8 ◽

Cited By ~ 4

Author(s):

Luminita Silaghi-Dumitrescu ◽

Ionel Haiduc ◽

Raymundo Cea-Olivares ◽

Ioan Silaghi-Dumitrescu ◽

Jean Escudié ◽

...

Keyword(s):

Diffraction Analysis ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

X Ray Diffraction ◽

X Ray

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Solid State Photo-Reaction and Transformation of 5-Methyl-2-Pyridone Co-crystals Investigated by Ab Initio Powder X-ray Diffraction analysis

Nihon Kessho Gakkaishi ◽

10.5940/jcrsj.50.335 ◽

2008 ◽

Vol 50 (6) ◽

pp. 335-340

Author(s):

Kotaro FUJII ◽

Hidehiro UEKUSA

Keyword(s):

Solid State ◽

Diffraction Analysis ◽

Ab Initio ◽

X Ray Diffraction ◽

X Ray

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A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters

Chemistry of Materials ◽

10.1021/cm0717763 ◽

2008 ◽

Vol 20 (6) ◽

pp. 2205-2217 ◽

Cited By ~ 22

Author(s):

Todd M. Alam ◽

Jacalyn S. Clawson ◽

François Bonhomme ◽

Steven G. Thoma ◽

Mark A. Rodriguez ◽

...

Keyword(s):

Solid State ◽

Ab Initio ◽

Solid State Nmr ◽

X Ray Diffraction ◽

X Ray

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