Ab Initio Thermochemistry of Some Halogenated Cyclopropanes

Igor Novak

doi:10.1021/jo0201528

Ab Initio Thermochemistry of Some Halogenated Cyclopropanes

Igor Novak

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

5 Citations (Scopus)

Abstract

The standard enthalpies of formation for a series of chloro- and fluoro-substituted cyclopropanes have been calculated by using high-level ab initio G3/B3LYP methods. The relative stabilities of isomers and the influence of substituents on thermochemistry in several classes of substituted derivatives are discussed.

Original language	English
Pages (from-to)	6279-6281
Number of pages	3
Journal	Journal of Organic Chemistry
Volume	67
Issue number	17
DOIs	https://doi.org/10.1021/jo0201528
Publication status	Published - 2002

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10.1021/jo0201528

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title = "Ab Initio Thermochemistry of Some Halogenated Cyclopropanes",

abstract = "The standard enthalpies of formation for a series of chloro- and fluoro-substituted cyclopropanes have been calculated by using high-level ab initio G3/B3LYP methods. The relative stabilities of isomers and the influence of substituents on thermochemistry in several classes of substituted derivatives are discussed.",

author = "Igor Novak",

note = "Imported on 12 Apr 2017 - DigiTool details were: Journal title (773t) = The Journal of Organic Chemistry. ISSNs: 0022-3263; ",

year = "2002",

doi = "10.1021/jo0201528",

language = "English",

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journal = "Journal of Organic Chemistry",

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T1 - Ab Initio Thermochemistry of Some Halogenated Cyclopropanes

AU - Novak, Igor

N1 - Imported on 12 Apr 2017 - DigiTool details were: Journal title (773t) = The Journal of Organic Chemistry. ISSNs: 0022-3263;

PY - 2002

Y1 - 2002

N2 - The standard enthalpies of formation for a series of chloro- and fluoro-substituted cyclopropanes have been calculated by using high-level ab initio G3/B3LYP methods. The relative stabilities of isomers and the influence of substituents on thermochemistry in several classes of substituted derivatives are discussed.

AB - The standard enthalpies of formation for a series of chloro- and fluoro-substituted cyclopropanes have been calculated by using high-level ab initio G3/B3LYP methods. The relative stabilities of isomers and the influence of substituents on thermochemistry in several classes of substituted derivatives are discussed.

U2 - 10.1021/jo0201528

DO - 10.1021/jo0201528

M3 - Article

VL - 67

SP - 6279

EP - 6281

JO - Journal of Organic Chemistry

JF - Journal of Organic Chemistry

SN - 0022-3263

IS - 17

ER -

Ab Initio Thermochemistry of Some Halogenated Cyclopropanes

Abstract

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