Journal of Molecular Structure: THEOCHEM

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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
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
Theoretical study on geometric electronic structures and absorption wavelengths of closed-ring isomers of diarylmaleic anhydrides
Journal of Molecular Structure: THEOCHEM - Tập 774 - Trang 77-81 - 2006
De-Zhan Chen, Zhen Wang, Xue Zhao, Zhaoling Hao
How reliable are ab initio calculations?
Journal of Molecular Structure: THEOCHEM - Tập 231 - Trang 185-193 - 1991
Minh Tho Nguyen, M.R. Hajnal, L.G. Vanquickenborne
Crystal structure and vibrational spectra of betaine hydrogen selenate monohydrate
Journal of Molecular Structure: THEOCHEM - Tập 372 - Trang 29-40 - 1995
J Baran, M Drozd, T Lis, M Śledź, A.J Barnes, H Ratajczak
High-level ab initio and density functional theory study on reaction path and rate constant of the hydrogen abstraction reaction SiH 2 Cl 2 +H→SiHCl 2 +H 2
Journal of Molecular Structure: THEOCHEM - Tập 543 - Trang 11-21 - 2001
Xin Yu, Shen-Min Li, Zhen-Feng Xu, Ze-Sheng Li, Chia-Chung Sun
Potential energy curves and bond dissociation energy of YI
Journal of Molecular Structure: THEOCHEM - Tập 90 - Trang 49-52 - 1982
R.R. Reddy
AM1 calculations on a series of bicyclic azetidin-2-ones and bicyclic 1,3-diazetidin-2-ones: investigations towards putative β-lactamase inactivators
Journal of Molecular Structure: THEOCHEM - Tập 251 - Trang 237-243 - 1991
Ashwini Nangia
Carcinogenic activity in estrone and its derivatives: a theoretical study
Journal of Molecular Structure: THEOCHEM - Tập 624 - Trang 29-36 - 2003
Alejandra Picazo, Roberto Salcedo
On bonding in cyclic triphosphazenes
Journal of Molecular Structure: THEOCHEM - Tập 505 - Trang 169-177 - 2000
M. Breza
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