A theoretical reappraisal of the cyclol hypothesis

Ibon Alkorta; Goar Sanchez-Sanz; Cristina Trujillo; Luis Miguel Azofra Mesa; Jose Elguero

doi:10.1007/s11224-012-9947-8

A theoretical reappraisal of the cyclol hypothesis

Ibon Alkorta
, Goar Sanchez-Sanz
, Cristina Trujillo
, Luis Miguel Azofra Mesa
, Jose Elguero

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

6 Citations (Scopus)

Abstract

Theoretical calculations at the B3LYP/6-31G(d) level have been carried out on the isomerization of cyclictri-glycine into the corresponding tri-cyclol. The results confirmed that the cyclol hypothesis was untenable both from a thermodynamic as well as from a kinetic point of view.

Original language	English
Pages (from-to)	873 - 877
Number of pages	5
Journal	Structural Chemistry
Volume	23
Issue number	3
DOIs	https://doi.org/10.1007/s11224-012-9947-8
Publication status	Published - 2012
Externally published	Yes

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10.1007/s11224-012-9947-8

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title = "A theoretical reappraisal of the cyclol hypothesis",

abstract = "Theoretical calculations at the B3LYP/6-31G(d) level have been carried out on the isomerization of cyclictri-glycine into the corresponding tri-cyclol. The results confirmed that the cyclol hypothesis was untenable both from a thermodynamic as well as from a kinetic point of view.",

author = "Ibon Alkorta and Goar Sanchez-Sanz and Cristina Trujillo and \{Azofra Mesa\}, \{Luis Miguel\} and Jose Elguero",

year = "2012",

doi = "10.1007/s11224-012-9947-8",

language = "English",

volume = "23",

pages = "873 -- 877",

journal = "Structural Chemistry",

issn = "1040-0400",

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T1 - A theoretical reappraisal of the cyclol hypothesis

AU - Alkorta, Ibon

AU - Sanchez-Sanz, Goar

AU - Trujillo, Cristina

AU - Azofra Mesa, Luis Miguel

AU - Elguero, Jose

PY - 2012

Y1 - 2012

N2 - Theoretical calculations at the B3LYP/6-31G(d) level have been carried out on the isomerization of cyclictri-glycine into the corresponding tri-cyclol. The results confirmed that the cyclol hypothesis was untenable both from a thermodynamic as well as from a kinetic point of view.

AB - Theoretical calculations at the B3LYP/6-31G(d) level have been carried out on the isomerization of cyclictri-glycine into the corresponding tri-cyclol. The results confirmed that the cyclol hypothesis was untenable both from a thermodynamic as well as from a kinetic point of view.

UR - http://link.springer.com/content/pdf/10.1007%2Fs11224-012-9947-8.pdf

U2 - 10.1007/s11224-012-9947-8

DO - 10.1007/s11224-012-9947-8

M3 - Article

SN - 1040-0400

VL - 23

SP - 873

EP - 877

JO - Structural Chemistry

JF - Structural Chemistry

IS - 3

ER -

A theoretical reappraisal of the cyclol hypothesis

Abstract

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