Study of hydrogen abstraction reactions by Hartree-Fock density functional methods.

被引：0

作者：

Skokov, S ^{[1
]}

Wheeler, RA ^{[1
]}

机构：

[1] UNIV OKLAHOMA,DEPT CHEM & BIOCHEM,NORMAN,OK 73019

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 213卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：158 / COMP

页数：1

共 50 条

[1] Hartree-Fock and density functional theory study of α-cyclodextrin conformers
Jimenez, Veronica
Alderete, Joel B.
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (04): : 678 - 685
[2] Structural and vibrational analysis of indole by density functional and hybrid Hartree-Fock/density functional methods
Walden, SE
Wheeler, RA
[J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1996, (12): : 2653 - 2662
[3] Study of hydrogen abstraction reactions by density-functional methods
Skokov, S
Wheeler, RA
[J]. CHEMICAL PHYSICS LETTERS, 1997, 271 (4-6) : 251 - 258
[4] Study of prototypical Diels-Alder reactions by a hybrid density functional Hartree-Fock approach
Barone, V
Amaud, R
[J]. CHEMICAL PHYSICS LETTERS, 1996, 251 (5-6) : 393 - 399
[5] Application of density functional theory Hartree-Fock hybrid methods. Geometries and bond dissociation energies of Al+ complexes
Stockigt, D
[J]. CHEMICAL PHYSICS LETTERS, 1996, 250 (3-4) : 387 - 392
[6] Vibrational frequencies and structure of 2-thiouracil by Hartree-Fock, post-Hartree-Fock and density functional methods
Palafox, MA
Rastogi, VK
Tanwar, RP
Mittal, L
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2003, 59 (11) : 2473 - 2486
[7] TRIAZENE PROTON AFFINITIES - A COMPARISON BETWEEN DENSITY-FUNCTIONAL, HARTREE-FOCK AND POST-HARTREE-FOCK METHODS
SCHMIEDEKAMP, AM
TOPOL, I
BURT, S
RAZAFINJANAHARY, H
CHERMETTE, H
PFALTZGRAFF, T
MICHEJDA, C
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 206 : 52 - COMP
[8] Note on the Hartree and Hartree-Fock methods
Frank, NH
[J]. PHYSICAL REVIEW, 1937, 51 (07): : 577 - 583
[9] Transverse polarizabilities of carbon nanotubes: A Hartree-Fock and density functional study
Brothers, EN
Kudin, KN
Scuseria, GE
Bauschlicher, CW
[J]. PHYSICAL REVIEW B, 2005, 72 (03):
[10] Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
Oba, Fumiyasu
Togo, Atsushi
Tanaka, Isao
Paier, Joachim
Kresse, Georg
[J]. PHYSICAL REVIEW B, 2008, 77 (24)

← 1 2 3 4 5 →