A Computational Study of the Proton-Transfer Chemistry of the Silaformyl Anion | Zendy

Jon Rusho | Zendy; Mark S. Gordon | Zendy; Niels H. Damrauer | Zendy; Robert Damrauer | Zendy

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A Computational Study of the Proton-Transfer Chemistry of the Silaformyl Anion

Author(s) -

Jon Rusho,

Mark S. Gordon,

Niels H. Damrauer,

Robert Damrauer

Publication year - 1998

Publication title -

journal of the american chemical society

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 7.115

H-Index - 612

eISSN - 1520-5126

pISSN - 0002-7863

DOI - 10.1021/ja9722077

Subject(s) - chemistry , proton , ion , computational chemistry , perturbation theory (quantum mechanics) , ab initio , ab initio quantum chemistry methods , conjugate , perturbation (astronomy) , transfer (computing) , molecule , organic chemistry , nuclear physics , parallel computing , computer science , mathematical analysis , physics , mathematics , quantum mechanics

Proton-transfer reactions involving the silaformyl anion, HSiO-, and its conjugate acids, HSiOH and H2SiO, have been investigated with ab initio methods. Calculations through fourth-order perturbat...

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