scholarly journals Gas-Phase Formation of Fulvenallene (C7H6) via the Jahn–Teller Distorted Tropyl (C7H7) Radical Intermediate under Single-Collision Conditions

2020 ◽  
Vol 142 (6) ◽  
pp. 3205-3213 ◽  
Author(s):  
Chao He ◽  
Aaron M. Thomas ◽  
Galiya R. Galimova ◽  
Alexander N. Morozov ◽  
Alexander M. Mebel ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Formation ◽  
Radical Intermediate ◽  
Single Collision ◽  
Jahn Teller

Directed Gas-Phase Formation of Aminosilylene (HSiNH2; X1A′): The Simplest Silicon Analogue of an Aminocarbene, under Single-Collision Conditions

2021 ◽  
Vol 143 (35) ◽  
pp. 14227-14234
Author(s):  
Zhenghai Yang ◽  
Chao He ◽  
Shane Goettl ◽  
Ralf I. Kaiser ◽  
Valeriy N. Azyazov ◽  
...  
Keyword(s):  
Gas Phase ◽  
Phase Formation ◽  
Single Collision

A combined crossed molecular beams and ab initio investigation on the formation of vinylsulfidoboron (C2H311B32S)

2014 ◽  
Vol 16 (33) ◽  
pp. 17580-17587 ◽  
Author(s):  
Tao Yang ◽  
Beni B. Dangi ◽  
Dorian S. N. Parker ◽  
Ralf I. Kaiser ◽  
Yi An ◽  
...  
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Phase Formation ◽  
Molecular Beams ◽  
Single Collision ◽  
Crossed Molecular Beams

Bimolecular gas phase formation of vinylsulfidoboron (C2H311B32S) under single collision conditions.

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

Structural consequences of the Jahn-Teller theorem. Gas-phase molecular strcture of chromium pentafluoride (CrF5)

1984 ◽  
Vol 88 (10) ◽  
pp. 1935-1936 ◽  
Author(s):  
E. Jean Jacob ◽  
Lise Hedberg ◽  
Kenneth Hedberg ◽  
Harry Davis ◽  
Gary L. Gard
Keyword(s):  
Gas Phase ◽  
Jahn Teller
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