scholarly journals Computational studies on gas phase polyborate anions

2014 ◽  
Vol 1044 ◽  
pp. 74-79 ◽  
Author(s):  
Michael A. Beckett ◽  
R. Andrew Davies ◽  
Christopher D. Thomas
Keyword(s):  
Gas Phase ◽  
Computational Studies

scholarly journals Experimental and Computational Studies on the Gas-Phase Acidity of 5,5-Dialkyl Barbituric Acids

2021 ◽  
Author(s):  
Juan Z. Dávalos-Prado ◽  
Javier González ◽  
Josep M. Oliva-Enrich ◽  
Emma J. Urrunaga ◽  
Alexsandre F. Lago
Keyword(s):  
Gas Phase ◽  
Computational Studies ◽  
Gas Phase Acidity

Gas-phase reactivity of protonated 2-oxazoline derivatives: mass spectrometry and computational studies

2012 ◽  
Vol 26 (9) ◽  
pp. 1061-1069 ◽  
Author(s):  
Ricardo Vessecchi ◽  
José Carlos Tomaz ◽  
Guilherme Purcote dos Santos ◽  
Alfredo R. Marques Oliveira ◽  
Norberto Peporine Lopes ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Gas Phase ◽  
Computational Studies ◽  
Oxazoline Derivatives

NH+–F Hydrogen Bonding in a Fluorinated “Proton Sponge” Derivative: Integration of Solution, Solid-State, Gas-Phase, and Computational Studies

2011 ◽  
Vol 76 (19) ◽  
pp. 7975-7984 ◽  
Author(s):  
Michael T. Scerba ◽  
Christopher M. Leavitt ◽  
Matthew E. Diener ◽  
Andrew F. DeBlase ◽  
Timothy L. Guasco ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Gas Phase ◽  
Computational Studies ◽  
Proton Sponge

Gas Phase Computational Studies on the Competition between Nitrile and Water Ligands in Uranyl Complexes†

2010 ◽  
Vol 114 (33) ◽  
pp. 8902-8912 ◽  
Author(s):  
George Schoendorff ◽  
Wibe A. de Jong ◽  
Mark S. Gordon ◽  
Theresa L. Windus
Keyword(s):  
Gas Phase ◽  
Computational Studies ◽  
Uranyl Complexes ◽  
Water Ligands

Insights into the C–H⋯F–C hydrogen bond by Cambridge Structural Database analyses and computational studies

RSC Advances ◽  
2015 ◽  
Vol 5 (34) ◽  
pp. 26932-26940 ◽  
Author(s):  
Sagarika Dev ◽  
Sudeep Maheshwari ◽  
Angshuman Roy Choudhury
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Ab Initio ◽  
Gas Phase ◽  
Cambridge Structural Database ◽  
Computational Studies ◽  
Structural Database

C–H⋯F–C hydrogen bonding is analysed among fluorinated ethenes using ab initio calculations in the gas phase to understand the nature, strength and directionality of these interactions.

Computational studies of gas phase reactions of carbon chain anions with N and O atoms

2010 ◽  
Vol 12 (40) ◽  
pp. 13091 ◽  
Author(s):  
Zhibo Yang ◽  
Theodore P. Snow ◽  
Veronica M. Bierbaum
Keyword(s):  
Gas Phase ◽  
Carbon Chain ◽  
Computational Studies ◽  
Gas Phase Reactions
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