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Volume 138; Issue 10
Main
Theoretica Chimica Acta
Volume 138; Issue 10
Theoretica Chimica Acta
Volume 138; Issue 10
1
Computational investigation on the reaction of dimethyl ether with nitric dioxide. I. Underlying mechanism and accurate energetics
Guan, Yulei
,
Liu, Ru
,
Lou, Junpeng
,
Ma, Haixia
,
Song, Jirong
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1.34 MB
Your tags:
english, 2019
2
Enthalpies of formation of the benzyloxyl, benzylperoxyl, hydroxyphenyl radicals and related species on the potential energy surface for the reaction of toluene with the hydroxyl radical
Ventura, Oscar N.
,
Kieninger, Martina
,
Salta, Zoi
,
Kosmas, Agnie M.
,
Barone, Vincenzo
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 3.40 MB
Your tags:
english, 2019
3
QCT study of the vibrational and translational role in the H + C2H6(ν1, ν2, ν5, ν7, ν9 and ν10) reactions
Espinosa-Garcia, J.
,
Calle-Cancho, J.
,
Corchado, J. C.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 2.22 MB
Your tags:
english, 2019
4
Automatic routing of Goldstone diagrams using genetic algorithms
Herrmann, Nils
,
Hanrath, Michael
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 2.08 MB
Your tags:
english, 2019
5
CO2 induced swing effect at imidazolate of zeolitic imidazolate framework-90 using molecular simulations
Ploymeerusmee, T.
,
Fritzsche, S.
,
Hannongbua, S.
,
Chokbunpiam, T.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1.30 MB
Your tags:
english, 2019
6
Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions
Espinosa-Garcia, J.
,
Corchado, J. C.
,
Butkovskaya, N. I.
,
Setser, D. W.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 610 KB
Your tags:
english, 2019
7
Theoretical and experimental revision of the water bending excitation in the OH/OD + GeH4 reactions
Espinosa-Garcia, J.
,
Corchado, J. C.
,
Butkovskaya, N. I.
,
Setser, D. W.
Journal:
Theoretica Chimica Acta
Year:
2019
File:
PDF, 610 KB
Your tags:
2019
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