Modeling mechanisms of hydron transfer in the condensed phase.

Neil A. Burton; Raman Sharma; Sara Nunez; Gary Tresadern; Ian H. Hillier

Modeling mechanisms of hydron transfer in the condensed phase.

Neil A. Burton
, Raman Sharma
, Sara Nunez
, Gary Tresadern
, Ian H. Hillier

Research output: Chapter in Book/Conference proceeding › Conference contribution

Abstract

Hydron transfers, particularly of protons, are perhaps the most common reactions in nature and their mechanisms are of fundamental importance in chem. This paper will discuss recent hybrid and quantum mech. computational studies which have been employed to understand the novel catalytic tunnelling mechanisms now evident in enzymes and to model exptl. intramol. mimics in the aq. phase. [on SciFinder (R)]

Original language	English
Title of host publication	Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004
Publication status	Published - 2004

Cite this

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title = "Modeling mechanisms of hydron transfer in the condensed phase.",

abstract = "Hydron transfers, particularly of protons, are perhaps the most common reactions in nature and their mechanisms are of fundamental importance in chem. This paper will discuss recent hybrid and quantum mech. computational studies which have been employed to understand the novel catalytic tunnelling mechanisms now evident in enzymes and to model exptl. intramol. mimics in the aq. phase. [on SciFinder (R)]",

author = "Burton, \{Neil A.\} and Raman Sharma and Sara Nunez and Gary Tresadern and Hillier, \{Ian H.\}",

year = "2004",

language = "English",

booktitle = "Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004",

}

TY - GEN

T1 - Modeling mechanisms of hydron transfer in the condensed phase.

AU - Burton, Neil A.

AU - Sharma, Raman

AU - Nunez, Sara

AU - Tresadern, Gary

AU - Hillier, Ian H.

PY - 2004

Y1 - 2004

N2 - Hydron transfers, particularly of protons, are perhaps the most common reactions in nature and their mechanisms are of fundamental importance in chem. This paper will discuss recent hybrid and quantum mech. computational studies which have been employed to understand the novel catalytic tunnelling mechanisms now evident in enzymes and to model exptl. intramol. mimics in the aq. phase. [on SciFinder (R)]

AB - Hydron transfers, particularly of protons, are perhaps the most common reactions in nature and their mechanisms are of fundamental importance in chem. This paper will discuss recent hybrid and quantum mech. computational studies which have been employed to understand the novel catalytic tunnelling mechanisms now evident in enzymes and to model exptl. intramol. mimics in the aq. phase. [on SciFinder (R)]

M3 - Conference contribution

BT - Abstracts of Papers, 228th ACS National Meeting, Philadelphia, PA, United States, August 22-26, 2004

ER -

Modeling mechanisms of hydron transfer in the condensed phase.

Abstract

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