Arvi Rauk
机构: Professor Emeritus, Chemistry, University of Calgary
每年引用次数
引用次数
引用: 16,010
H-指数: 55
I10-指数 : 164
出版物: 226
CHARGE FLOW CONTRIBUTIONS TO INFRARED ABSORPTION AND VIBRATIONAL CIRCULAR DICHROISM INTENSITIES OF l-d-ETHANOL
R. Dutler , H. Wieser , F. Maurer , R. A. Shaw
Ohio State University
1990
THE VIBRATIONAL SPECTRA AND HARMONIC AS INITIO FORCE FIELDS FOR BICYCLO[2.2.1]HEPTANE AND SEVERAL ANALOGS
R. Dutler , H. Wieser , C. Castro , R. A. Shaw
Ohio State University
1986
THE VAPOUR PHASE INFRARED SPECTRA IN THE REGION OF $700-100 cm^{-1}$ OF BICYCLO[3.2.1]OCTANE AND ITS $8-DXA, 6-DXA, 6-OXA-7,7-D_{2}$, AND 6,8-DIOXA ANALOGS: EVIDENCE FOR ANHARMONIC SKELETAL DEFORMATIONS
R. A. Shaw , H. Wieser , T. L. Smithson , N. Ibrahim
Ohio State University
1986
Chiroptical techniques and their relationship to biological molecules, big or small
A. Rauk , T. B. Freedman
International Journal of Quantum Chemistry 52 315 -338
7
1994
Hydrogen Exchange in Benzyl Methyl Sulfoxide. Kinetic and Spectroscopic Nonequivalence of Methylene Protons
A. Rauk , Erwin Buncel , R. Y. Moir , Saul Wolfe
Journal of the American Chemical Society 87 ( 23) 5498 -5500
45
1965
An ab initio molecular orbital study of the 2-adamantyl cation
R. Dutler , A. Rauk , T. S. Sorensen , S. M. Whitworth
Journal of the American Chemical Society 111 ( 25) 9024 -9029
23
1989
Asymmetric nitrogen. 67. Geminal systems. 41. Chiroptical properties of N-chloro and N-bromo derivatives of three-membered nitrogen heterocycles: aziridines and diaziridines
G. V. Shustov , G. K. Kadorkina , R. G. Kostyanovskii , A. Rauk
Journal of the American Chemical Society 110 ( 6) 1719 -1726
39
1988
Proton distribution in one-electron reduced thioredoxin modulated by aspartate 30: A QM/MM study
J. Bergès , G.A. Rickard , A. Rauk , C. Houée-Levin
Chemical Physics Letters 454 ( 1) 118 -123
3
2008
The structure of bicyclo[2.2.1]heptanes: Norbornane, nornornene, norbornadiene, 7-oxanorbornane, and 7-thianorbornane
C.R. Castro , R. Dutler , A. Rauk , H. Wieser
Journal of Molecular Structure: THEOCHEM 152 ( 3-4) 241 -253
23
1987
Stereochemistry and chiroptical properties of 1,3-dialkylaziridinones (α-lactams). Chiral rules for the nonplanar amide chromophore
G. V. Shustov , A. V. Kachanov , I. I. Chervin , R. G. Kostyanovsky
Canadian Journal of Chemistry 72 ( 2) 279 -286
9
1994
Oxidative damage to the glycyl α-carbon site in proteins: an ab initio study of the C—H bond dissociation energy and the reduction potential of the C-centered radical
D.A. Armstrong , D. Yu , A. Rauk
Canadian Journal of Chemistry 74 ( 6) 1192 -1199
57
1996
The equilibrium geometry of methyl carbamate
R.A. Kydd , A. Rauk
Journal of Molecular Structure 77 ( 3) 227 -238
20
1981
GAS PHASE AND AQUEOUS THERMOCHEMISTRY OF HYDRAZINE AND RELATED RADICALS AND THE ENERGY PROFILES OF REACTIONS WITH H. AND OH.: AN AB INITIO STUDY
D. A. Armstrong , D. Yu , A. Rauk
Journal of Physical Chemistry A 101 ( 26) 4761 -4769
19
1997
Potential energy barriers for dissociative attachment to HF.HF and HCl.HCl: Ab initio study
A. Rauk , D. A. Armstrong
International Journal of Quantum Chemistry 95 ( 6) 683 -696
5
2003
Erratum: potential energy barriers for dissociative attachment to HF.HF and HCl.HCl: An ab initio study
A. Rauk , D. A. Armstrong
International Journal of Quantum Chemistry 96 ( 1) 69 -69
2004
Conformational and Chiroptical Properties of N-Nitrosoazetidines
G. V. Shustov , A. Rauk
Journal of the American Chemical Society 117 ( 3) 928 -934
17
1995
QM/MM study of electron addition on protein disulfide bonds
J. Bergès , G. Rickards , A. Rauk , C. Houée-Levin
Chemical Physics Letters 421 ( 1) 63 -67
21
2006
Effects of Structure on αC−H Bond Enthalpies of Amino Acid Residues: Relevance to H Transfers in Enzyme Mechanisms and in Protein Oxidation†
A. Rauk , D. Yu , J. Taylor , G. V. Shustov
Biochemistry 38 ( 28) 9089 -9096
116
1999
Determination of the Structure and Chiroptical Properties of the Parent Nerve Gas O-Methyl Methylphosphonofluoridate by ab Initio Calculations, Electron Diffraction Analysis, and NMR Spectroscopy
A. Rauk , I. F. Shishkov , L. V. Vilkov , K. F. Koehler
Journal of the American Chemical Society 117 ( 27) 7180 -7185
22
1995
Chiroptical properties of the diazirine chromophore
G. V. Shustov , S. V. Varlamov , A. Rauk , R. G. Kostyanovskii
Journal of the American Chemical Society 112 ( 9) 3403 -3408
11
1990