The equilibrium molecular structure of 2-cyanopyridine from combined analysis of gas-phase electron diffraction and microwave data and results of ab initio calculations

The molecular structure of thiazole, determined by the combined analysis of gas-phase electron diffraction (GED) data and rotational constants and by ab initio calculations

Physical Chemistry Chemical Physics ◽

10.1039/a809867k ◽

1999 ◽

Vol 1 (10) ◽

pp. 2421-2426 ◽

Cited By ~ 9

Author(s):

Simon F. Bone ◽

Bruce A. Smart ◽

Hedi Gierens ◽

Carole A. Morrison ◽

Paul T. Brain ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Rotational Constants ◽

Combined Analysis ◽

The Equilibrium Molecular Structure of 4-Cyanopyridine According to a Combined Analysis of Gas-Phase Electron Diffraction and Microwave Data and Coupled-Cluster Computations

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024418100102 ◽

2018 ◽

Vol 92 (10) ◽

pp. 1970-1974 ◽

Cited By ~ 8

Author(s):

L. S. Khaikin ◽

N. Vogt ◽

A. N. Rykov ◽

O. E. Grikina ◽

Jean Demaison ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Coupled Cluster ◽

Combined Analysis ◽

Equilibrium Molecular Structure ◽

ChemInform Abstract: The Molecular Structure and Conformational Behaviour of 2-Chloro-1,3- butadiene (Chloroprene) Studied by Gas-Phase Electron Diffraction and ab initio Calculations.

ChemInform ◽

10.1002/chin.199123053 ◽

2010 ◽

Vol 22 (23) ◽

pp. no-no

Author(s):

G. GUNDERSEN ◽

H. G. THOMASSEN ◽

J. E. BOGGS ◽

C. PENG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular structure of trimethylamine–gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies †

Journal of the Chemical Society Dalton Transactions ◽

10.1039/a806289g ◽

1998 ◽

pp. 3685-3692 ◽

Cited By ~ 24

Author(s):

Paul T. Brain ◽

Helen E. Brown ◽

Anthony J. Downs ◽

Tim M. Greene ◽

Emma Johnsen ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Single Crystal ◽

Ab Initio ◽

Gas Phase ◽

X Ray Diffraction ◽

X Ray ◽

A study of the asymmetry of ligands in bis(trichlorosilyl)tert-butylphosphine, PBut(SiCl3)2: molecular structure by gas-phase electron diffraction and ab initio calculations

Journal of the Chemical Society Dalton Transactions ◽

10.1039/b204823j ◽

2002 ◽

pp. 3787 ◽

Cited By ~ 5

Author(s):

Sarah L. Hinchley ◽

Heather E. Robertson ◽

David W. H. Rankin ◽

Wolf-W. du Mont

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

The Asymmetry ◽

The equilibrium molecular structure of 3-cyanopyridine according to gas-phase electron diffraction and microwave data and the results of quantum-chemical calculations

Mendeleev Communications ◽

10.1016/j.mencom.2018.05.002 ◽

2018 ◽

Vol 28 (3) ◽

pp. 236-238 ◽

Cited By ~ 5

Author(s):

Leonid S. Khaikin ◽

Natalja Vogt ◽

Anatoliy N. Rykov ◽

Olga E. Grikina ◽

Jürgen Vogt ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Equilibrium Molecular Structure ◽

Study of the Thymine Molecule: Equilibrium Structure from Joint Analysis of Gas-Phase Electron Diffraction and Microwave Data and Assignment of Vibrational Spectra Using Results of Ab initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp8017138 ◽

2008 ◽

Vol 112 (33) ◽

pp. 7662-7670 ◽

Cited By ~ 22

Author(s):

Natalja Vogt ◽

Leonid S. Khaikin ◽

Olga E. Grikina ◽

Anatolii N. Rykov ◽

Jürgen Vogt

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Vibrational Spectra ◽

Equilibrium Structure ◽

Joint Analysis ◽

The molecular structure of fluoromalononitrile as determined by gas-phase electron diffraction and ab initio calculations

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2004.11.067 ◽

2005 ◽

Vol 61 (7) ◽

pp. 1671-1674 ◽

Cited By ~ 1

Author(s):

E.G. Atavin ◽

M. Dakkouri ◽

L.V. Khristenko ◽

L.V. Vilkov

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

The molecular structure and conformations of 3-ethenyl-3-methyl-cyclopropene as determined by ab initio calculations and gas-phase electron diffraction

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00417-7 ◽

1998 ◽

Vol 445 (1-3) ◽

pp. 107-115 ◽

Cited By ~ 2

Author(s):

Pirkko Bakken ◽

Ivan Bolesov ◽

Ilia Kuchuk ◽

Armin de Meijere ◽

Vladimir Mastryukov ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

ChemInform Abstract: Determination of the Molecular Structure of Ethylphosphonothioic Dichloride by Gas-Phase Electron Diffraction and ab initio Calculations.

ChemInform ◽

10.1002/chin.199127048 ◽

2010 ◽

Vol 22 (27) ◽

pp. no-no

Author(s):

D. G. ANDERSON ◽

S. CRADOCK ◽

G. A. FORSYTH ◽

D. W. H. RANKIN ◽

J. F. SULLIVAN ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽