Mechanisms of ionic reactions in the gas phase. Formation, rearrangement, and fragmentation of oxygen-, sulfur- and nitrogen-stabilized carbocations. High-order hydride shifts

1978 ◽  
Vol 100 (12) ◽  
pp. 3838-3846 ◽  
Author(s):  
James K. Pau ◽  
Jhong K. Kim ◽  
Marjorie C. Caserio
Keyword(s):  
Gas Phase ◽  
Phase Formation ◽  
High Order ◽  
Ionic Reactions

On the trustability of semi-empirical methods to the calculation of gas phase formation enthalpies of inorganic compounds containing heavy metals: tin borates

2017 ◽  
Author(s):  
Robson de Farias
Keyword(s):  
Heavy Metals ◽  
Gas Phase ◽  
Phase Formation ◽  
Inorganic Compounds ◽  
Formation Enthalpy ◽  
Computational Time ◽  
Gas Formation ◽  
Formation Enthalpies ◽  
Knudsen Effusion Mass Spectrometry ◽  
Semi Empirical

<p>In the present work, are calculated the gas formation enthalpies (SE; PM3 and PM6) for tin borates: SnB<sub>2</sub>O<sub>4</sub><sup> </sup>and Sn<sub>2</sub>B<sub>2</sub>O<sub>5</sub>. The calculated values are compared with experimental ones, obtained by Knudsen effusion mass spectrometry [3]. It is shown that SE methods, besides their lower computational time consuming can, indeed, provide reliable gas phase formation enthalpy values for inorganic compounds containing heavy metals.</p>

Gas-Phase Formation of the Gomberg-Bachmann Magnesium Ketyl

2008 ◽  
Vol 47 (47) ◽  
pp. 9118-9121 ◽  
Author(s):  
Charlene C. L. Thum ◽  
George N. Khairallah ◽  
Richard A. J. O'Hair
Keyword(s):  
Gas Phase ◽  
Phase Formation

scholarly journals The TW Hya Rosetta Stone Project. II. Spatially Resolved Emission of Formaldehyde Hints at Low-temperature Gas-phase Formation

2021 ◽  
Vol 906 (2) ◽  
pp. 111 ◽  
Author(s):  
Jeroen Terwisscha van Scheltinga ◽  
Michiel R. Hogerheijde ◽  
L. Ilsedore Cleeves ◽  
Ryan A. Loomis ◽  
Catherine Walsh ◽  
...  
Keyword(s):  
Low Temperature ◽  
Gas Phase ◽  
Phase Formation ◽  
Spatially Resolved ◽  
Rosetta Stone

scholarly journals A theoretical investigation of the reaction between the amidogen, NH, and the ethyl, C2H5, radicals: a possible gas-phase formation route of interstellar and planetary ethanimine

2018 ◽  
Vol 13 ◽  
pp. 30-37 ◽  
Author(s):  
Nadia Balucani ◽  
Dimitrios Skouteris ◽  
Cecilia Ceccarelli ◽  
Claudio Codella ◽  
Stefano Falcinelli ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Formation ◽  
Theoretical Investigation

Directed Gas-Phase Formation of the Germaniumsilylene Butterfly Molecule (Ge(μ-H2)Si)

2019 ◽  
Vol 10 (6) ◽  
pp. 1264-1271 ◽  
Author(s):  
Aaron M. Thomas ◽  
Beni B. Dangi ◽  
Tao Yang ◽  
György Tarczay ◽  
Ralf I. Kaiser ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Formation
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