Gas-Phase Structure and Acidity of Formohydroxamic Acid and Formamide: A Comparative ab Initio Study

1995 ◽  
Vol 99 (1) ◽  
pp. 131-136 ◽  
Author(s):  
Oscar N. Ventura ◽  
Jose B. Rama ◽  
Laszlo Turi ◽  
J. J. Dannenberg
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Ab Initio Study ◽  
Gas Phase Structure ◽  
Formohydroxamic Acid

scholarly journals Gas-Phase Structure of Protonated Histidine and Histidine Methyl Ester:  Combined Experimental Mass Spectrometry and Theoretical ab Initio Study

2005 ◽  
Vol 109 (37) ◽  
pp. 8329-8335 ◽  
Author(s):  
Borislav Kovačević ◽  
Marko Rožman ◽  
Leo Klasinc ◽  
Dunja Srzić ◽  
Zvonimir B. Maksić ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Methyl Ester ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Ab Initio Study ◽  
Gas Phase Structure

Gas-phase structure of sulfur cyanate pentafluoride, SF5OCN. Electron diffraction and ab initio study

1991 ◽  
Vol 30 (1) ◽  
pp. 59-62 ◽  
Author(s):  
Petra. Zylka ◽  
Hans Georg. Mack ◽  
Arno. Schmuck ◽  
Konrad. Seppelt ◽  
Heinz. Oberhammer
Keyword(s):  
Electron Diffraction ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Ab Initio Study ◽  
Gas Phase Structure

Gas-phase structure and conformations of malonyl difluoride (COF-CH2-COF) and difluoromalonyl difluoride (COF-CF2-COF). An electron diffraction and ab initio study

1991 ◽  
Vol 113 (21) ◽  
pp. 7847-7852 ◽  
Author(s):  
AnDing Jin ◽  
Hans Georg Mack ◽  
Alfred Waterfeld ◽  
Heinz Oberhammer
Keyword(s):  
Electron Diffraction ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Ab Initio Study ◽  
Gas Phase Structure

Gas phase structure of beryllocene, an ab initio LCAO MO SCF study

1978 ◽  
Vol 54 (3) ◽  
pp. 567-570 ◽  
Author(s):  
J. Demuynck ◽  
M.M. Rohmer
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Gas Phase Structure ◽  
Lcao Mo

Inductive and Steric Effects on the Gas-Phase Structure of tert-Butyl Acetate. Electron Diffraction and ab Initio MO Investigations

1994 ◽  
Vol 98 (35) ◽  
pp. 8632-8635 ◽  
Author(s):  
Hiroshi Takeuchi ◽  
J. Enmi ◽  
Manabu Onozaki ◽  
Toru Egawa ◽  
Shigehiro Konaka
Keyword(s):  
Electron Diffraction ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Butyl Acetate ◽  
Steric Effects ◽  
Tert Butyl ◽  
Ab Initio Mo ◽  
Gas Phase Structure

scholarly journals Accurate gas-phase structure of para-dioxane by fs Raman rotational coherence spectroscopy and ab initio calculations

2017 ◽  
Vol 147 (7) ◽  
pp. 074306 ◽  
Author(s):  
Takuya Den ◽  
Samuel Menzi ◽  
Hans-Martin Frey ◽  
Samuel Leutwyler
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Coherence Spectroscopy ◽  
Gas Phase Structure

The gas-phase structure of the asymmetric, trans-dinitrogen tetroxide (N2O4), formed by dimerization of nitrogen dioxide (NO2), from rotational spectroscopy and ab initio quantum chemistry

2017 ◽  
Vol 146 (13) ◽  
pp. 134305 ◽  
Author(s):  
Nathan A. Seifert ◽  
Daniel P. Zaleski ◽  
Robert Fehnel ◽  
Mausumi Goswami ◽  
Brooks H. Pate ◽  
...  
Keyword(s):  
Quantum Chemistry ◽  
Nitrogen Dioxide ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Structure ◽  
Rotational Spectroscopy ◽  
Dinitrogen Tetroxide ◽  
Gas Phase Structure
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