4.7 Article

The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO-NOH system: Energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

A diagnostic for determining the quality of single-reference electron correlation methods

Timothy J. Lee et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)

Article Chemistry, Physical

The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN2

Ugur Bozkaya et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Review Chemistry, Physical

Unimolecular thermal fragmentation of ortho-benzyne

Xu Zhang et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Approximate treatment of higher excitations in coupled-cluster theory -: art. no. 214105

M Kállay et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Review Chemistry, Inorganic & Nuclear

The chemistry of nitroxyl (HNO) and implications in biology

KM Miranda

COORDINATION CHEMISTRY REVIEWS (2005)

Article Chemistry, Physical

Analytic second derivatives for general coupled-cluster and configuration-interaction models

M Kállay et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

Article Chemistry, Physical

Analytic first derivatives for general coupled-cluster and configuration interaction models

M Kállay et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Review Chemistry, Multidisciplinary

Definitive ab initio studies of model SN2 reactions CH3X+F- (X = F, Cl, CN, OH, SH, NH2, PH2)

JM Gonzales et al.

CHEMISTRY-A EUROPEAN JOURNAL (2003)

Article Chemistry, Physical

A general state-selective multireference coupled-cluster algorithm

M Kállay et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

The accurate determination of molecular equilibrium structures

KL Bak et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

Multiple-well, multiple-path unimolecular reaction systems. I. MultiWell computer program suite

JR Barker

INTERNATIONAL JOURNAL OF CHEMICAL KINETICS (2001)

Review Chemistry, Physical

Vibrational energy transfer modeling of nonequilibrium polyatomic reaction systems

JR Barker et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2001)

Review Chemistry, Physical

The equilibrium N-H bond length

J Demaison et al.

CHEMICAL PHYSICS (2000)