Benchmark study of molecules with large-amplitude ring-twisting motion: accurate equilibrium structure of succinic anhydride from gas electron diffraction data and coupled-cluster computations

Coupled Cluster ◽

Benchmark Study

Semiexperimental equilibrium structure of 1-methylisatin from gas-phase electron diffraction data and structural changes in isatin due to 1-methyl and 5-fluoro substituents as predicted by coupled cluster computations

Molecular Physics ◽

10.1080/00268976.2018.1554193 ◽

2018 ◽

Vol 117 (14) ◽

pp. 1850-1857

Author(s):

Alexander V. Belyakov ◽

Kirill O. Nikolaenko ◽

Alexander A. Oskorbin ◽

Natalja Vogt ◽

Anatolii N. Rykov ◽

...

Keyword(s):

Electron Diffraction ◽

Gas Phase ◽

Diffraction Data ◽

Structural Changes ◽

Equilibrium Structure ◽

Coupled Cluster ◽

Gas Phase Electron Diffraction

Internal rotation and equilibrium structure of bromonitromethane molecule from gas electron diffraction data and quantum chemical calculations

Журнал структурной химии ◽

10.26902/jsc20180303 ◽

2018 ◽

Vol 59 (3) ◽

Author(s):

Y.I. Tarasov ◽

◽

I.V. Kochikov ◽

Z.G. Bazhanova ◽

◽

...

Keyword(s):

Electron Diffraction ◽

Internal Rotation ◽

Quantum Chemical Calculations ◽

Diffraction Data ◽

Quantum Chemical ◽

Equilibrium Structure ◽

Internal Rotation and Equilibrium Structure of the Bromonitromethane Molecule According to Gas Electron Diffraction Data and Quantum Chemical Calculations

Journal of Structural Chemistry ◽

10.1134/s0022476618030034 ◽

2018 ◽

Vol 59 (3) ◽

pp. 512-519

Author(s):

Yu. I. Tarasov ◽

I. V. Kochikov ◽

Z. G. Bazhanova

Keyword(s):

Electron Diffraction ◽

Internal Rotation ◽

Quantum Chemical Calculations ◽

Diffraction Data ◽

Quantum Chemical ◽

Equilibrium Structure ◽

The geometry of the nitroguanyl fragment in the simplest nitroguanidine derivatives in the absence of intermolecular interactions: The gas electron diffraction data on 1,1,3,3-tetramethyl-2-nitroguanidine

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024411020166 ◽

2011 ◽

Vol 85 (3) ◽

pp. 441-446 ◽

Cited By ~ 1

Author(s):

L. S. Khaikin ◽

O. E. Grikina ◽

G. V. Girichev ◽

A. Kovacs ◽

K. P. Dyugaev ◽

...

Keyword(s):

Electron Diffraction ◽

Intermolecular Interactions ◽

Diffraction Data ◽

Nitroguanidine Derivatives

The initial processing of the gas electron diffraction data: An improved method for obtaining intensity curves from diffraction patterns

10.1016/j.molstruc.2006.08.026 ◽

2007 ◽

Vol 833 (1-3) ◽

pp. 30-41 ◽

Cited By ~ 55

Author(s):

Yu.V. Vishnevskiy

Keyword(s):

Electron Diffraction ◽

Diffraction Data ◽

Improved Method ◽

Diffraction Patterns ◽

Initial Processing

The force field and molecular structure of dimethylsulfoxide from spectroscopic and gas electron diffraction data and ab initio calculations

10.1016/s0022-2860(01)00850-x ◽

2001 ◽

Vol 599 (1-3) ◽

pp. 177-193 ◽

Cited By ~ 17

Author(s):

Volker Typke ◽

Marwan Dakkouri

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Diffraction Data ◽

The molecular structure, conformation, force field and potential function to internal rotation of 2,2-dichloroacetamide as studied by quantum chemical calculations and gas electron diffraction data from photographic plates using a commercial scanner

10.1016/j.molstruc.2003.11.039 ◽

2004 ◽

Vol 691 (1-3) ◽

pp. 149-158 ◽

Cited By ~ 14

Author(s):

Snefrid Gundersen ◽

Svein Samdal ◽

Ragnhild Seip ◽

Tor G Strand

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Internal Rotation ◽

Quantum Chemical Calculations ◽

Potential Function ◽

Diffraction Data ◽

Quantum Chemical ◽

Molecular Structure of Pyrazinamide: A Critical Assessment of Modern Gas Electron Diffraction Data from Three Laboratories

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c03531 ◽

2020 ◽

Vol 124 (25) ◽

pp. 5204-5211

Author(s):

Arseniy A. Otlyotov ◽

Georgiy V. Girichev ◽

Anatolii N. Rykov ◽

Timo Glodde ◽

Yury V. Vishnevskiy

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Diffraction Data ◽

Critical Assessment ◽

The molecular structure of bromine pentafluoride: a joint analysis of gas electron diffraction data and microwave rotational constants

10.1016/0022-2860(79)80062-9 ◽

1979 ◽

Vol 54 ◽

pp. 135-144 ◽

Cited By ~ 10

Author(s):

R.K. Heenan ◽

A.G. Robiette

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Diffraction Data ◽

Joint Analysis ◽

Rotational Constants

A critical examination of the statistical method for the analysis of gas electron diffraction data

Acta Crystallographica ◽

10.1107/s0365110x65001172 ◽

1965 ◽

Vol 18 (3) ◽

pp. 549-557 ◽

Cited By ~ 79

Author(s):

Y. Morino ◽

K. Kuchitsu ◽

Y. Murata

Keyword(s):

Electron Diffraction ◽

Statistical Method ◽

Diffraction Data ◽

Critical Examination