Journal of Molecular Structure: THEOCHEM

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Characterization of the semiquinones and quinones of (−)-epicatechin by means of computational chemistry
Journal of Molecular Structure: THEOCHEM - Tập 897 - Trang 6-11 - 2009
Ana María Mendoza-Wilson, Graciela Dolores Ávila-Quezada, René Renato Balandrán-Quintana, Daniel Glossman-Mitnik, Saúl Ruiz-Cruz
MNDO-PM3 and AM1 studies of heats of formation of aliphatic and alicyclic aldehydes, ketones and nitriles
Journal of Molecular Structure: THEOCHEM - Tập 282 - Trang 33-41 - 1993
A. Hernández-Laguna, R. Alguacil, J.-L.M. Abboud, Y.G. Smeyers
The electron-transfer reaction for Co(H 2 O) 6 2+/3+
Journal of Molecular Structure: THEOCHEM - Tập 543 - Trang 177-183 - 2001
Dongju Zhang, Haiquan Hu, Yongjun Liu, Yuxiang Bu, Chengbu Liu
The convergence of the Møller-Plesset series in molecular properties of diatomic group 13 compounds
Journal of Molecular Structure: THEOCHEM - Tập 306 - Trang 9-19 - 1994
Peter Schwerdtfeger, Josef Ischtwan
Is the Hohenberg–Kohn–Sham version of DFT a semi-empirical theory?
Journal of Molecular Structure: THEOCHEM - Tập 709 - Trang 25-29 - 2004
Eduardo V. Ludeña
Hydrogen bonds and preferred conformation of optically active amides
Journal of Molecular Structure: THEOCHEM - Tập 543 - Trang 259-275 - 2001
R Salas-Coronado, A Vásquez-Badillo, M Medina-Garcı́a, J.G Garcı́a-Colón, H Nöth, R Contreras, A Flores-Parra
DFT study of tautomerism in azirine and related systems
Journal of Molecular Structure: THEOCHEM - Tập 956 - Trang 97-102 - 2010
Hossein Tavakol
Structures and stability of N11+ and N11− clusters
Journal of Molecular Structure: THEOCHEM - Tập 588 - Trang 37-43 - 2002
Yong Dong Liu, Peng Gang Yiu, Jun Guan, Qian Shu Li
A molecular orbital explanation of bond distance variation caused by hydrogen bond formation
Journal of Molecular Structure: THEOCHEM - Tập 770 - Trang 179-184 - 2006
Fumihito Mohri
Theoretical group 14 chemistry. Part 2. Si4R6: a theoretical approach
Journal of Molecular Structure: THEOCHEM - Tập 680 - Trang 91-97 - 2004
Rainer Koch, Torsten Bruhn, Manfred Weidenbruch
Tổng số: 5,768   
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