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Volume 138; Issue 9
Main
Theoretica Chimica Acta
Volume 138; Issue 9
Theoretica Chimica Acta
Volume 138; Issue 9
1
Comparative study of 1:1 Lewis acid–base adducts between Cp2M(L)H (M = V, Nb, Ta; L = CO, C2H4, P(CH3)3) and BF3/AlF3
Wang, Jia
,
Sun, Zheng
,
Li, Qingzhong
,
Li, Xiaoyan
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 2.12 MB
Your tags:
english, 2019
2
DFT study of two-photon absorption of octupolar molecules
Amar, Anissa
,
Boucekkine, Abdou
,
Paul, Frédéric
,
Mongin, Olivier
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1.08 MB
Your tags:
english, 2019
3
Bonding and Diels–Alder reactions of substituted 2-borabicyclo(1.1.0)but-1(3)-enes: a theoretical study
Zhang, Congjie
,
Wang, Zhimin
,
Song, Jinshuai
,
Li, Chunsen
,
Mo, Yirong
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1011 KB
Your tags:
english, 2019
4
Theoretical investigations of structural, thermal properties and stability of the group 12 metal M(XH) isomers in atmosphere: M = (Zn, Cd, Hg) and XH = (OH, SH)
Ezarfi, N.
,
Touimi Benjelloun, A.
,
Sabor, S.
,
Benzakour, M.
,
Mcharfi, M.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 2.29 MB
Your tags:
english, 2019
5
Thermal rate coefficients and kinetic isotope effects of the reaction HO + H2O → H2O + OH
Zhu, Yongfa
,
Lu, Yunpeng
,
Song, Hongwei
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 1.43 MB
Your tags:
english, 2019
6
Size effects in charge migration in alkyne chains
Despré, Victor
,
Kuleff, Alexander I.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 907 KB
Your tags:
english, 2019
7
On the impact of a phosphoryl group in the recognition capabilities of 2-aminopyridines toward carboxylic acids
Gallegos, Miguel
,
Gil-Guerrero, Sara
,
Fernández-Alarcón, A.
,
Bouzas-Ramos, Diego
,
Martín, Judith
,
Concellón, Carmen
,
del Amo, Vicente
,
Costa, J. M.
,
Mendoza-Meroño, R.
,
García-Granda, S.
,
Martín Pendá
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 999 KB
Your tags:
english, 2019
8
A density functional theory study on complexation processes and intermolecular interactions of triptycene-derived oxacalixarenes
Jia, Zishang
,
Pang, Hongdi
,
Li, Hui
,
Wang, Xueye
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 3.67 MB
Your tags:
english, 2019
9
Equidensity orbitals in resultant-information description of electronic states
Nalewajski, Roman F.
Journal:
Theoretica Chimica Acta
Year:
2019
Language:
english
File:
PDF, 2.02 MB
Your tags:
english, 2019
10
Equidensity orbitals in resultant-information description of electronic states
Nalewajski, Roman F.
Journal:
Theoretica Chimica Acta
Year:
2019
File:
PDF, 2.02 MB
Your tags:
2019
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