A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl−⋯CH3Cl pre-reaction complex with the VENUS suite of codes

Xinyou Ma; Giovanni Di Liberto; Ricardo Conte; William Hase; Michele Ceotto

doi:10.1063/1.5054399

A quantum mechanical insight into S_N2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl−⋯CH₃Cl pre-reaction complex with the VENUS suite of codes

Xinyou Ma, Giovanni Di Liberto, Ricardo Conte, William Hase, Michele Ceotto

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	164113
Journal	Default journal
DOIs	https://doi.org/10.1063/1.5054399
State	Published - Oct 31 2018

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10.1063/1.5054399

Cite this

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title = "A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl−⋯CH3Cl pre-reaction complex with the VENUS suite of codes",

author = "Xinyou Ma and Liberto, {Giovanni Di} and Ricardo Conte and William Hase and Michele Ceotto",

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month = oct,

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doi = "10.1063/1.5054399",

language = "English",

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publisher = "Current Opinion in Endocrinology Diabetes and Obesity",

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A quantum mechanical insight into S_N2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl−⋯CH₃Cl pre-reaction complex with the VENUS suite of codes. / Ma, Xinyou; Liberto, Giovanni Di; Conte, Ricardo; Hase, William; Ceotto, Michele.

In: Default journal, 31.10.2018, p. 164113.

Research output: Contribution to journal › Article › peer-review

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T1 - A quantum mechanical insight into SN2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl−⋯CH3Cl pre-reaction complex with the VENUS suite of codes

AU - Ma, Xinyou

AU - Liberto, Giovanni Di

AU - Conte, Ricardo

AU - Hase, William

AU - Ceotto, Michele

PY - 2018/10/31

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U2 - 10.1063/1.5054399

DO - 10.1063/1.5054399

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SP - 164113

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