DFT and MP2 investigations on the interaction of furan homologues C4H4Y (Y=O, S) with BX3 (X=H, F, Cl)
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference32 articles.
1. Theoretical Insight into the Interactions of TMA-Benzene and TMA-Pyrrole with B3LYP Density-Functional Theory (DFT) and ab Initio Second Order Møller−Plesset Perturbation Theory (MP2) Calculations
2. Molecular orbital calculations of the substituent effect on intermolecular CH/π interaction in C2H3X–C6H6 complexes (X=H, F, Cl, Br, and OH)
3. The complexation energy of the one-electron oxidized guanine–cytosine base pair and its parent system with small cations. A DFT-study
4. Complexation of Na+ and K+ to Aromatic Amino Acids: A Density Functional Computational Study of Cation-π Interactions
5. Comparison of DFT with Ab initio Method on the Study of Intermolecular Interaction of (CH3ONO2)2
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2. Theoretical study on the lithium bond interaction of furan homologues C4H4Y (Y=O, S) with LiCH3 via DFT and MP2;Science Bulletin;2008-04-29
3. Many-body perturbation theory and its application to the molecular structure problem;Chemical Modelling
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