ChemInform Abstract: Characterization of LaCrO4 and NdCrO4 by XRD, Raman Spectroscopy, and ab initio Molecular Orbital Calculations.

Yoshitaka Aoki; Hidetaka Konno; Hiroto Tachikawa; Michio Inagaki

doi:10.1002/chin.200031008

ChemInform Abstract: Characterization of LaCrO4 and NdCrO4 by XRD, Raman Spectroscopy, and ab initio Molecular Orbital Calculations.

ChemInform ◽

10.1002/chin.200031008 ◽

2010 ◽

Vol 31 (31) ◽

pp. no-no

Author(s):

Yoshitaka Aoki ◽

Hidetaka Konno ◽

Hiroto Tachikawa ◽

Michio Inagaki

Keyword(s):

Raman Spectroscopy ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Abstract Characterization

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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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Characterization of Adsorption Properties of H2O on Si(001) and Si(111) by Ellipsometry and ab initio Molecular Orbital Calculations.

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN ◽

10.1252/jcej.34.684 ◽

2001 ◽

Vol 34 (5) ◽

pp. 684-691 ◽

Cited By ~ 4

Author(s):

NORIAKI SANO ◽

TOMOHIRO SHIBATA ◽

TATSUO KANKI ◽

TSUYOSHI ASANO

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Adsorption Properties ◽

Molecular Orbital Calculations

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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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Liquid Structure of Acetic Acid Studied by Raman Spectroscopy and Ab Initio Molecular Orbital Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp991501d ◽

1999 ◽

Vol 103 (43) ◽

pp. 8595-8603 ◽

Cited By ~ 95

Author(s):

Takakazu Nakabayashi ◽

Kentaroh Kosugi ◽

Nobuyuki Nishi

Keyword(s):

Raman Spectroscopy ◽

Acetic Acid ◽

Ab Initio ◽

Molecular Orbital ◽

Liquid Structure ◽

Molecular Orbital Calculations

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Organometallic Precursors for the Formation of GaN by MOCVD: Structural Characterization of (CH3)3GaNH(CH2CH3)2by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp020523o ◽

2002 ◽

Vol 106 (37) ◽

pp. 8762-8768 ◽

Cited By ~ 4

Author(s):

Kirsten Aarset ◽

Carolyn E. Beer ◽

Kolbjørn Hagen ◽

Elizabeth M. Page ◽

David A. Rice

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Structural Characterization ◽

Molecular Orbital Calculations ◽

Organometallic Precursors ◽

Gas Phase Electron Diffraction

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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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Characterization of C2S4·+ isomers by mass spectrometry and ab initio molecular orbital calculations

International Journal of Mass Spectrometry ◽

10.1016/s1387-3806(01)00406-7 ◽

2001 ◽

Vol 210-211 ◽

pp. 31-42 ◽

Cited By ~ 4

Author(s):

Pascal Gerbauxa ◽

Robert Flammanga ◽

Curt Wentrup ◽

Ming Wah Wong

Keyword(s):

Mass Spectrometry ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations

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Spectroscopic evidence for an intramolecular C–H⋯N hydrogen bond: infrared and Raman spectroscopy and ab initio molecular orbital calculations of N,N-dimethylpropylamine and propyltrimethylammonium bromide

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00195-6 ◽

1997 ◽

Vol 435 (3) ◽

pp. 219-228 ◽

Cited By ~ 9

Author(s):

Keiichi Ohno ◽

Akimitsu Tonegawa ◽

Hiroshi Yoshida ◽

Hiroatsu Matsuura

Keyword(s):

Hydrogen Bond ◽

Raman Spectroscopy ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Spectroscopic Evidence ◽

Infrared And Raman Spectroscopy

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Structural Characterization of MAO and Related Aluminum Complexes. 1. Solid-State27Al NMR with Comparison to EFG Tensors from ab Initio Molecular Orbital Calculations

Journal of the American Chemical Society ◽

10.1021/ja011092a ◽

2001 ◽

Vol 123 (48) ◽

pp. 12009-12017 ◽

Cited By ~ 53

Author(s):

Pamela L. Bryant ◽

Chris R. Harwell ◽

Anthony A. Mrse ◽

Earl F. Emery ◽

Zhehong Gan ◽

...

Keyword(s):

Ab Initio ◽

Molecular Orbital ◽

Structural Characterization ◽

Molecular Orbital Calculations ◽

Aluminum Complexes

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Proposal of novel natural inhibitors of severe acute respiratory syndrome coronavirus 2 main protease: Molecular docking and ab initio fragment molecular orbital calculations

Biophysical Chemistry ◽

10.1016/j.bpc.2021.106608 ◽

2021 ◽

Vol 275 ◽

pp. 106608

Author(s):

Divya Shaji ◽

Shohei Yamamoto ◽

Ryosuke Saito ◽

Ryo Suzuki ◽

Shunya Nakamura ◽

...

Keyword(s):

Molecular Docking ◽

Severe Acute Respiratory Syndrome ◽

Ab Initio ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Fragment Molecular Orbital ◽

Main Protease ◽

Natural Inhibitors

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