Investigating the gas phase structure of KIX with radical directed dissociation and molecular dynamics: Retention of the native structure

2011 ◽  
Vol 308 (2-3) ◽  
pp. 225-231 ◽  
Author(s):  
Xing Zhang ◽  
Ryan R. Julian
Keyword(s):  
Molecular Dynamics ◽  
Gas Phase ◽  
Phase Structure ◽  
Native Structure ◽  
Radical Directed Dissociation ◽  
Gas Phase Structure

Gas-Phase Structure of the Histone Multimers Characterized by Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation

2013 ◽  
Vol 85 (8) ◽  
pp. 4165-4171 ◽  
Author(s):  
Kazumi Saikusa ◽  
Sotaro Fuchigami ◽  
Kyohei Takahashi ◽  
Yuuki Asano ◽  
Aritaka Nagadoi ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Phase ◽  
Ion Mobility ◽  
Phase Structure ◽  
Dynamics Simulation ◽  
Ion Mobility Mass Spectrometry ◽  
Gas Phase Structure

Gas-phase structure of 1,8-bis[(trimethylsilyl)ethynyl]anthracene: cog-wheel-type vs. independent internal rotation and influence of dispersion interactions

2017 ◽  
Vol 19 (20) ◽  
pp. 13093-13100 ◽  
Author(s):  
Arseniy A. Otlyotov ◽  
Jan-Hendrik Lamm ◽  
Sebastian Blomeyer ◽  
Norbert W. Mitzel ◽  
Vladimir V. Rybkin ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Diffraction ◽  
Gas Phase ◽  
Internal Rotation ◽  
Phase Structure ◽  
Dispersion Interactions ◽  
Dft Methods ◽  
Molecular Dynamics Calculations ◽  
Gas Phase Structure ◽  
Intramolecular Forces

1,8-Bis[(trimethylsilyl)ethynyl]anthracene is extremely flexible and difficult to predict by DFT methods; gas electron diffraction plus molecular dynamics calculations enlighten competing intramolecular forces.

Gas-phase structure of dimeric tetrafluorosulfur chloroimide, (ClNSF4)2

1984 ◽  
Vol 23 (4) ◽  
pp. 415-418 ◽  
Author(s):  
Heinz Oberhammer ◽  
Alfred Waterfeld ◽  
Ruediger Mews
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Gas Phase Structure

Microwave spectrum and gas phase structure of maleimide

2016 ◽  
Vol 319 ◽  
pp. 26-29 ◽  
Author(s):  
Aaron M. Pejlovas ◽  
Onur Oncer ◽  
Lu Kang ◽  
Stephen G. Kukolich
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Microwave Spectrum ◽  
Gas Phase Structure

ChemInform Abstract: The CH3/CF3 Substitution Effect. The Gas-Phase Structure of 1,1,1,3,3, 3-Hexafluoropropane

ChemInform ◽  
2010 ◽  
Vol 23 (33) ◽  
pp. no-no
Author(s):  
H.-G. MACK ◽  
H. OBERHAMMER ◽  
M. GROSSER ◽  
M. DAKKOURI
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Substitution Effect ◽  
Gas Phase Structure

scholarly journals Dimethylalkoxygallane incorporating a donor-functionalised alkoxide: the monomeric gas-phase structure

2008 ◽  
pp. 6880 ◽  
Author(s):  
Caroline E. Knapp ◽  
Claire J. Carmalt ◽  
Paul F. McMillan ◽  
Derek A. Wann ◽  
Heather E. Robertson ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Gas Phase Structure

Tautomeric properties and gas-phase structure of 3-methyl-2,4-pentanedione

2012 ◽  
Vol 1023 ◽  
pp. 49-54 ◽  
Author(s):  
Natalya V. Belova ◽  
Georgiy V. Girichev ◽  
Heinz Oberhammer ◽  
Nguen Hoang Trang ◽  
Sergey A. Shlykov
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Gas Phase Structure

Gas-phase structure and conformation of the glycosidase and ceramide glucosyltransferase inhibitor N-benzyl deoxynojirimycin

2004 ◽  
Vol 6 (23) ◽  
pp. 5283 ◽  
Author(s):  
R. A. Jockusch ◽  
F. O. Talbot ◽  
N. Asano ◽  
G. W. Fleet ◽  
J. P. Simons
Keyword(s):  
Gas Phase ◽  
Phase Structure ◽  
Gas Phase Structure
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