Joint Analysis of Ethyl Formate in the Gas Phase by Electron Diffraction and Microwave and Vibrational Spectroscopy Supplemented by ab Initio Calculations of Force Fields

Force Fields ◽

Ethyl Formate ◽

Joint Analysis

Methacrolein in the gas phase, investigated by electron diffraction, microwave and vibrational spectroscopy, supplemented with ab initio calculations of geometries and force fields

Journal of Molecular Structure ◽

10.1016/0022-2860(93)80282-z ◽

1993 ◽

Vol 299 ◽

pp. 43-59 ◽

Cited By ~ 10

Author(s):

Y. Wang ◽

J. De Smedt ◽

I. Coucke ◽

C. Van Alsenoy ◽

H.J. Geise

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

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 ◽

Gas Phase Electron Diffraction ◽

Microwave Data

Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†

Journal of the Chemical Society Dalton Transactions ◽

10.1039/b103315h ◽

2001 ◽

pp. 2916-2925 ◽

Cited By ~ 7

Author(s):

Sarah L. Hinchley ◽

Bruce A. Smart ◽

Carole Morrison ◽

Heather E. Robertson ◽

David W. H. Rankin ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

X Ray ◽

X Ray Crystallography

Vinyl formate in the gas phase, investigated by electron diffraction, microwave spectroscopy and infrared band contour analysis, supplemented with molecular mechanics and ab-initio calculations of geometries and force fields

Journal of Molecular Structure ◽

10.1016/0022-2860(86)87061-2 ◽

1986 ◽

Vol 147 (1-2) ◽

pp. 85-104 ◽

Cited By ~ 11

Author(s):

W. Pyckhout ◽

C. Van Alsenoy ◽

H.J. Geise ◽

B. Van der Veken ◽

P. Coppens ◽

...

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Molecular Mechanics ◽

Gas Phase ◽

Force Fields ◽

Microwave Spectroscopy ◽

Contour Analysis ◽

Infrared Band ◽

Band Contour

Formic Acetic Anhydride in the Gas Phase, Studied by Electron Diffraction and Infrared Spectroscopy, Supplemented with ab-Initio Calculations of Geometries and Force Fields

The Journal of Physical Chemistry ◽

10.1021/jp9607982 ◽

1996 ◽

Vol 100 (28) ◽

pp. 11620-11629 ◽

Cited By ~ 9

Author(s):

G. Wu ◽

S. Shlykov ◽

C. Van Alsenoy ◽

H. J. Geise ◽

E. Sluyts ◽

...

Keyword(s):

Infrared Spectroscopy ◽

Electron Diffraction ◽

Acetic Anhydride ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Acetic Anhydride in the Gas Phase, Studied by Electron Diffraction and Infrared Spectroscopy, Supplemented With ab Initio Calculations of Geometries and Force Fields

The Journal of Physical Chemistry A ◽

10.1021/jp993131z ◽

2000 ◽

Vol 104 (7) ◽

pp. 1576-1587 ◽

Cited By ~ 15

Author(s):

Guang Wu ◽

C. Van Alsenoy ◽

H. J. Geise ◽

E. Sluyts ◽

B. J. Van der Veken ◽

...

Keyword(s):

Infrared Spectroscopy ◽

Electron Diffraction ◽

Acetic Anhydride ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Formic Anhydride in the Gas Phase, Studied by Electron Diffraction and Microwave and Infrared Spectroscopy, Supplemented with Ab-Initio Calculations of Geometries and Force Fields

The Journal of Physical Chemistry ◽

10.1021/j100021a022 ◽

1995 ◽

Vol 99 (21) ◽

pp. 8589-8598 ◽

Cited By ~ 7

Author(s):

G. Wu ◽

S. Shlykov ◽

F. S. Van Alseny ◽

H. J. Geise ◽

E. Sluyts ◽

...

Keyword(s):

Infrared Spectroscopy ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Structural and conformational analysis of N-chloro-N-ethylethanamine by gas electron diffraction, ab initio calculations and vibrational spectroscopy

Journal of Molecular Structure ◽

10.1016/0022-2860(93)80252-q ◽

1993 ◽

Vol 291 (1) ◽

pp. 11-22 ◽

Cited By ~ 7

Author(s):

Nobuhiko Kuze ◽

Hiroshi Takeuchi ◽

Toru Egawa ◽

Shigehiro Konaka ◽

Susan Q. Newton ◽

...

Keyword(s):

Electron Diffraction ◽

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Electron Diffraction

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 ◽

Gas Phase Electron Diffraction

Gas-phase vibrational spectroscopy and ab initio calculations of Rb+(H2O)n and Rb+(H2O)nAr cluster ions

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2009.08.001 ◽

2009 ◽

Vol 257 (2) ◽

pp. 157-163 ◽

Cited By ~ 14

Author(s):

Amy L. Nicely ◽

Dorothy J. Miller ◽

James M. Lisy

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Cluster Ions