An ab initio and MNDO-d SCF-MO computational study of stereoelectronic control in extrusion reactions of R_2I-F iodine (III) intermediates

Carroll Michael A.

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An ab initio and MNDO-d SCF-MO computational study of stereoelectronic control in extrusion reactions of R_2I-F iodine (III) intermediates

机译：R_2I-F碘（III）中间体挤出反应中立体电子控制的从头算和MNDO-d SCF-MO计算研究

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《Journal of the Chemical Society. Perkin Transactions 2》 |1999年第12期|共8页
作者
Carroll Michael A.;
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正文语种 eng
中图分类高分子化学（高聚物）;物理化学（理论化学）、化学物理学;
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1. An ab initio and MNDO-d SCF-MO computational study of stereoelectronic control in extrusion reactions of R_2I-F iodine (III) intermediates [J] . Carroll Michael A. Journal of the Chemical Society. Perkin Transactions 2 . 1999,第12期

机译：R_2I-F碘（III）中间体挤出反应中立体电子控制的从头算和MNDO-d SCF-MO计算研究
2. Solvation Ultrafast Dynamics of Reactions. 14. Molecular Dynamics and ab Initio Studies of Charge-Transfer Reactions of Iodine in Benzene Clusters [J] . Julius T. Su, Ahmed H. Zewail The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 1998,第23期

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3. Influence of water on anharmonicity, stability, and vibrational energy distribution of hydrogen-bonded adducts in atmospheric reactions: Case study of the OH + isoprene reaction intermediate using ab initio molecular dynamics [J] . Dietrick S.M., Pacheco A.B., Phatak P., The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2012,第1期

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4. Ab Initio Evaluation of Reaction Rate Constants for Elementary Al Combustion Reactions - Part I: Potential Energy Surface Computation [C] . N. Butuk, R. Berry, T. Miller AIAA/ASME/SAE/ASEE Joint Propulsion Conference Exhibit . 2007

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6. Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Water: Ab Initio and DFT Study [O] . Lei Jiang, Ru Lan, Yi-Sheng Xu, 2013

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7. Solvation Ultrafast Dynamics of Reactions. 14. Molecular Dynamics and ab Initio Studies of Charge-Transfer Reactions of Iodine in Benzene Clusters [O] . Julius T. Su, Ahmed H. Zewail 1997

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8. Computational Studies of SiH2+SiH2 Recombination Reaction Dynamics on a Global Potential Surface Fitted to Ab Initio and Experimental Data [R] . Agrawal, P. M., Thompson, D. L., Raff, L. M. 1988

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An ab initio and MNDO-d SCF-MO computational study of stereoelectronic control in extrusion reactions of R_2I-F iodine (III) intermediates

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