Conformational preferences of carbonic acid and its sulfur derivatives, H2C({double bond, long}X)O2-nSn(X = O/S; n = 0-2)

Rubén D. Parra; Anthony Arena; Sudha Sankisa

doi:10.1016/j.theochem.2007.03.015

Conformational preferences of carbonic acid and its sulfur derivatives, H₂C({double bond, long}X)O_2-nS_n(X = O/S; n = 0-2)

Rubén D. Parra, Anthony Arena, Sudha Sankisa

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

Original language	English
Pages (from-to)	31-40
Number of pages	10
Journal	Journal of Molecular Structure: THEOCHEM
Volume	815
Issue number	1-3
DOIs	https://doi.org/10.1016/j.theochem.2007.03.015
State	Published - Aug 1 2007

ASJC Scopus Subject Areas

Biochemistry
Condensed Matter Physics
Physical and Theoretical Chemistry

Keywords

Ab initio
Carbonic acids
Conformational preferences
NBO analysis
proton transfer barriers
Rotational barriers
Thiocarbonic acids

Access to Document

10.1016/j.theochem.2007.03.015

Cite this

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title = "Conformational preferences of carbonic acid and its sulfur derivatives, H2C({double bond, long}X)O2-nSn(X = O/S; n = 0-2)",

keywords = "Ab initio, Carbonic acids, Conformational preferences, NBO analysis, proton transfer barriers, Rotational barriers, Thiocarbonic acids",

author = "Parra, {Rub{\'e}n D.} and Anthony Arena and Sudha Sankisa",

year = "2007",

month = aug,

day = "1",

doi = "10.1016/j.theochem.2007.03.015",

language = "English",

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journal = "Journal of Molecular Structure: THEOCHEM",

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T1 - Conformational preferences of carbonic acid and its sulfur derivatives, H2C({double bond, long}X)O2-nSn(X = O/S; n = 0-2)

AU - Parra, Rubén D.

AU - Arena, Anthony

AU - Sankisa, Sudha

PY - 2007/8/1

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KW - Carbonic acids

KW - Conformational preferences

KW - NBO analysis

KW - proton transfer barriers

KW - Rotational barriers

KW - Thiocarbonic acids

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DO - 10.1016/j.theochem.2007.03.015

M3 - Article

AN - SCOPUS:34250795578

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JF - Journal of Molecular Structure: THEOCHEM

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