N,N-Dimethylthioformamide andN,N-Dimethylthiocarbamoyl Chloride:  Molecular Structure by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital and Density Functional Theory Calculations

Tore H. Johansen; Kolbjørn Hagen

doi:10.1021/jp022419c

N,N-Dimethylthioformamide andN,N-Dimethylthiocarbamoyl Chloride: Molecular Structure by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp022419c ◽

2003 ◽

Vol 107 (23) ◽

pp. 4697-4706 ◽

Cited By ~ 4

Author(s):

Tore H. Johansen ◽

Kolbjørn Hagen

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Gas Phase Electron Diffraction

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ChemInform Abstract: Molecular Structure of C(GeBr3)4 Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge-C Bonds in Crystalline Semiconductor Solids.

ChemInform ◽

10.1002/chin.199805001 ◽

2010 ◽

Vol 29 (5) ◽

pp. no-no

Author(s):

A. HAALAND ◽

D. J. SHOROKHOV ◽

T. G. STRAND ◽

J. KOUVETAKIS ◽

M. O'KEEFFE

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electron Diffraction ◽

Gas Phase ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Crystalline Semiconductor ◽

Gas Phase Electron Diffraction

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Molecular Structure of Dimethyldichlorotitanium(IV) by Gas-Phase Electron Diffraction, IR and NMR Spectroscopies, and Density Functional Theory Calculations. Unexpected Distortion from Tetrahedral Coordination Geometry

Inorganic Chemistry ◽

10.1021/ic960177n ◽

1996 ◽

Vol 35 (16) ◽

pp. 4713-4718 ◽

Cited By ~ 16

Author(s):

G. Sean McGrady ◽

Anthony J. Downs ◽

Donald C. McKean ◽

Arne Haaland ◽

Wolfgang Scherer ◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electron Diffraction ◽

Gas Phase ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Coordination Geometry ◽

Tetrahedral Coordination ◽

Functional Theory ◽

Gas Phase Electron Diffraction

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Molecular Structure of C(GeBr3)4Determined by Gas-Phase Electron Diffraction and Density Functional Theory Calculations: Implications for the Length and Stability of Ge−C Bonds in Crystalline Semiconductor Solids

Inorganic Chemistry ◽

10.1021/ic970582u ◽

1997 ◽

Vol 36 (23) ◽

pp. 5198-5201 ◽

Cited By ~ 8

Author(s):

Arne Haaland ◽

Dmitry J. Shorokhov ◽

Tor G. Strand ◽

John Kouvetakis ◽

Michael O'Keeffe

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electron Diffraction ◽

Gas Phase ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Crystalline Semiconductor ◽

Gas Phase Electron Diffraction

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Molecular Structure of Ru(η-C5Me5)(η-C5F5) by Gas-Phase Electron Diffraction and Density Functional Theory

Organometallics ◽

10.1021/om0205501 ◽

2002 ◽

Vol 21 (22) ◽

pp. 4840-4846 ◽

Cited By ~ 6

Author(s):

Blair F. Johnston ◽

David W. H. Rankin ◽

Heather E. Robertson ◽

Russell P. Hughes ◽

Jeffrey R. Lomprey

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electron Diffraction ◽

Gas Phase ◽

Density Functional ◽

Functional Theory ◽

Gas Phase Electron Diffraction

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Conformational Structure of Gaseous 3-Chloropropanoyl Chloride by Electron Diffraction, Normal Coordinate Analysis, and ab Initio Molecular Orbital, and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp064187d ◽

2006 ◽

Vol 110 (38) ◽

pp. 11136-11144 ◽

Cited By ~ 1

Author(s):

Tore H. Johansen ◽

Kolbjørn Hagen

Keyword(s):

Density Functional Theory ◽

Electron Diffraction ◽

Ab Initio ◽

Molecular Orbital ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Normal Coordinate Analysis ◽

Conformational Structure ◽

Normal Coordinate ◽

Functional Theory

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Molecular orbital studies of harmonic vibrations of nitrobenzene in the gas phase and solution using semi-empirical, ab initio and density functional theory calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00935-1 ◽

1999 ◽

Vol 482-483 ◽

pp. 409-414 ◽

Cited By ~ 12

Author(s):

Piotr Urbanowicz ◽

Teobald Kupka ◽

Roman Wrzalik ◽

Karol Pasterny

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Harmonic Vibrations ◽

Semi Empirical

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Ab initio and density functional theory calculations of molecular structure and vibrational spectra of 4-(2-Hydroxyethyl) piperazine-1-ethanesulfonic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.07.084 ◽

2016 ◽

Vol 152 ◽

pp. 509-522 ◽

Cited By ~ 7

Author(s):

J. Sharmi Kumar ◽

T.S. Renuga Devi ◽

G.R. Ramkumaar ◽

A. Bright

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Ethanesulfonic Acid ◽

Hydroxyethyl Piperazine

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1,1,2-Triiododisilane (I 2 HSi–SiH 2 I): molecular structure, internal rotation and vibrational properties determined by gas-phase electron diffraction, infrared and Raman spectroscopy, and ab initio molecular orbital- and density functional calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00224-0 ◽

1999 ◽

Vol 509 (1-3) ◽

pp. 237-254 ◽

Cited By ~ 9

Author(s):

T.H. Johansen ◽

K. Hagen ◽

K. Hassler ◽

G. Tekautz ◽

R. Stølevik

Keyword(s):

Molecular Structure ◽

Raman Spectroscopy ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Density Functional Calculations ◽

Density Functional ◽

Vibrational Properties ◽

Infrared And Raman Spectroscopy ◽

Gas Phase Electron Diffraction

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The molecular structure of gaseous dichloro(dimethylamino)phosphane, Cl 2 PN(CH 3 ) 2 , by electron diffraction and density functional theory calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00552-x ◽

2001 ◽

Vol 567-568 ◽

pp. 197-202 ◽

Cited By ~ 4

Author(s):

Polina E. Baskakova ◽

Alexander V. Belyakov ◽

Arne Haaland ◽

Hans Vidar Volden

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electron Diffraction ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory

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Molecular Structure and Conformation of 1,1-Dichloro-2-propanone, CHCl2C(O)CH3, as Determined by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp020106b ◽

2002 ◽

Vol 106 (16) ◽

pp. 4263-4266 ◽

Cited By ~ 1

Author(s):

Kolbjørn Hagen ◽

Quang Shen ◽

Richard Carter ◽

Mike Marion

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Gas Phase Electron Diffraction

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