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51

Sum rules for atomic polar and axial tensors from vibronic coupling theory

Danya Yang, Arvi Rauk

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 659 KB

english, 1993

52

CASSCF, CASPT2, and MRCI investigations of formyloxyl radical (HCOO.)

Arvi Rauk, Dake Yu, Piotr Borowski, Björn Roos

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 626 KB

english, 1995

53

The structures and relative energies of formamide (H2NCHO) and radical ions H2NCHO·+, H2NCOH·+ and H3NCO·+

Dake Yu, David A. Armstrong, Arvi Rauk

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 693 KB

english, 1996

54

3-Methylazetidin-2-one and its precursors: Optical resolution and absolute configurations

G.V. Shustov, A. Rauk

Journal:

Tetrahedron: Asymmetry

Year:

1996

Language:

english

File:

PDF, 531 KB

english, 1996

55

Cationic and perfluorinated polymeric pseudostationary phases for electrokinetic chromatography

Erika Rauk, Anton Kotzev, André Laschewsky, Christopher P. Palmer

Journal:

Journal of Chromatography A

Year:

2006

Language:

english

File:

PDF, 224 KB

english, 2006

56

QM/MM study of electron addition on protein disulfide bonds

J. Bergès, G. Rickards, A. Rauk, C. Houée-Levin

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 198 KB

english, 2006

57

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

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 691 KB

english, 2008

58

Synthesis and cyclooxygenase inhibitory activities of some N-acylhydrazone derivatives of isoxazolo[4,5-d]pyridazin-4(5H)-ones

Oya Ünsal-Tan, Kevser Özden, Arvi Rauk, Ayla Balkan

Journal:

European Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 475 KB

english, 2010

59

Threshold energies for dissociative electron attachment to HBr.HX clusters with different HX partners: an ab initio study

Arvi Rauk, David A. Armstrong

Journal:

Radiation Physics and Chemistry

Year:

2005

Language:

english

File:

PDF, 288 KB

english, 2005

60

Infrared absorption and vibrational circular dichroism spectra of poly(vinyl ether) containing diastereomeric menthols as pendants

Jennifer L. McCann, Arvi Rauk, Hal Wieser

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 324 KB

english, 1997

61

HERON rearrangement of N,N′-diacyl-N,N′-dialkoxyhydrazines — a theoretical and experimental study

Stephen A. Glover, Guoning Mo, Arvi Rauk

Journal:

Year:

1999

Language:

english

File:

PDF, 909 KB

english, 1999

62

Effect of IL-1β and IL-6 on Oxytocin Secretion in Human Uterine Smooth Muscle Cells

ULRIKE FRIEBE-HOFFMANN, JYE-PING CHIAO, PHILLIP N. RAUK

Journal:

American Journal of Reproductive Immunology

Year:

2001

Language:

english

File:

PDF, 885 KB

english, 2001

63

Structure and reactions of the peroxy radicals of glycine and alanine in peptides: an ab initio study

Mei Lan Huang, Arvi Rauk

Journal:

Journal of Physical Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 482 KB

english, 2004

64

Potential energy barriers for dissociative attachment to HF.HF and HCl.HCl: Ab initio study

A. Rauk, D. A. Armstrong

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 266 KB

english, 2003

65

Erratum: potential energy barriers for dissociative attachment to HF.HF and HCl.HCl: An ab initio study

A. Rauk, D. A. Armstrong

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 47 KB

english, 2004

66

Chiroptical techniques and their relationship to biological molecules, big or small

A. Rauk, T. B. Freedman

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 1.41 MB

english, 1994

67

On the calculation of multiplet energies by the hartree-fock-slater method

Tom Ziegler, Arvi Rauk, Evert J. Baerends

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 458 KB

english, 1977

68

The electronic structure of FeO42−, RuO4, RuO4−, RuO42−and OsO4by the HFS-DVM method

A. Rauk, T. Ziegler, D. E. Ellis

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1974

Language:

english

File:

PDF, 545 KB

english, 1974

69

Self-assembly of frame structures. 10. Stereochemistry of 2,5-dioxabicyclo [2.2.1]heptane-3,6-digne

I. V. Vystorop, A. Rauk, C. Jaime, I. Dinarés, R. G. Kostyanovsky

Journal:

Chemistry of Heterocyclic Compounds

Year:

1995

Language:

english

File:

PDF, 855 KB

english, 1995

70

On the calculation of bonding energies by the Hartree Fock Slater method

Tom Ziegler, Arvi Rauk

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1977

Language:

english

File:

PDF, 446 KB

english, 1977

71

Performance and selectivity of polymeric pseudostationary phases for the electrokinetic separation of amino acid derivatives and peptides

Shannon Schulte, Anup K. Singh, Erika Rauk, Christopher P. Palmer

Journal:

Analytical and Bioanalytical Chemistry

Year:

2005

Language:

english

File:

PDF, 255 KB

english, 2005

72

Ab initio model studies of copper binding to peptides containing a His–His sequence: relevance to the β-amyloid peptide of Alzheimer’s disease

Duilio F. Raffa, Rodolfo Gómez-Balderas, Patrick Brunelle, Gail A. Rickard, Arvi Rauk

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 868 KB

english, 2005

73

Ab initio modelling of the structure and redox behaviour of copper(I) bound to a His–His model peptide: relevance to the β-amyloid peptide of Alzheimer’s disease

Duilio F. Raffa, Gail A. Rickard, Arvi Rauk

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 715 KB

english, 2007

74

Can copper binding to the prion protein generate a misfolded form of the protein?

M. Jake Pushie, Arvi Rauk, Frank R. Jirik, Hans J. Vogel

Journal:

Year:

2009

Language:

english

File:

PDF, 620 KB

english, 2009

75

Electron capture by HCl trimers: an ab initio study

A. Rauk, D. A. Armstrong

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2005

Language:

english

File:

PDF, 316 KB

english, 2005

76

Estradiol and progesterone regulate oxytocin receptor binding and expression in human breast cancer cell lines

Janet A. Amico, Phillip N. Rauk, Hou-ming Cai

Journal:

Endocrine (Springer)

Year:

2002

Language:

english

File:

PDF, 191 KB

english, 2002

77

Absolute Configuration of 1,4-Dialkyl-2,5-dioxabicyclo[2.2.1]heptane-3,6-dione Enantiomers

Igor V. Vystorop, Gennadii V. Shustov, Arvi Rauk, Remir G. Kostyanovsky

Journal:

Mendeleev Communications

Year:

1994

Language:

english

File:

PDF, 243 KB

english, 1994

78

Heterolytic fragmentation of 4-hydroxy-6,6,7,7-tetramethyl-Δ2-dehydro-quinuclidine-2,3-dicarboxylic acid esters

Remir G. Kostyanovsky, Yurii I. El’natanov, Ivan I. Chervin, Sergei V. Konovalikhin, Lev O. Atovmyan, Arvi Rauk

Journal:

Mendeleev Communications

Year:

1996

Language:

english

File:

PDF, 109 KB

english, 1996

79

Synthesis, experimental, and ab initio theoretical vibrational circular dichroism, and absolute configurations of substituted oxiranes

Pickard, Simeon T., Smith, Howard E., Polavarapu, Prasad L., Black, Thomas M., Rauk, Arvi, Yang, Danya

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.02 MB

english, 1992

80

Carbon monoxide, carbon monosulfide, molecular nitrogen, phosphorus trifluoride, and methyl isocyanide as .sigma. donors and .pi. acceptors. A theoretical study by the Hartree-Fock-Slater transition-state method

Ziegler, Tom, Rauk, Arvi

Journal:

Inorganic Chemistry

Year:

1979

Language:

english

File:

PDF, 623 KB

english, 1979

81

ChemInform Abstract: Why Do Catalytic Quantities of Lewis Acid Generally Yield More Product than 1.1 Equiv. in the Intramolecular Diels-Alder Reaction with a Furan Diene? Part 2. AM1 Calculations and Mathematical Simulation of the Equilibria.

I. R. HUNT, A. RAUK, B. A. KEAY

Journal:

Year:

1996

File:

PDF, 32 KB

1996

82

ChemInform Abstract: 3-Methylazetidin-2-one and Its Precursors: Optical Resolution and Absolute Configurations.

G. V. SHUSTOV, A. RAUK

Journal:

Year:

1996

File:

PDF, 29 KB

1996

83

ChemInform Abstract: Ring Opening of Bicyclo(n.1.0)alkanones to 2-Cycloalkanone-1,3-diyls. Why Does Oxyallyl Diradical Formation Require Less Energy from Bicyclo( 3.1.0)hexan-6-ones than from Bicyclo(1.1.0)butan-2-ones?

D. A. HROVAT, A. RAUK, T. S. SORENSEN, H. K. POWELL, W. T. BORDEN

Journal:

Year:

1996

File:

PDF, 28 KB

1996

84

ChemInform Abstract: Heterolytic Fragmentation of 4-Hydroxy-6,6,7,7-tetramethyl-δ2- dehydroquinuclidine-2,3-dicarboxylic Acid Esters.

R. G. KOSTYANOVSKY, YU. I. EL'NATANOV, I. I. CHERVIN, S. V. KONOVALIKHIN, L. O. ATOVMYAN, A. RAUK

Journal:

Year:

1996

File:

PDF, 32 KB

1996

85

Computational studies of Cu(II)[peptide] binding motifs: Cu[HGGG] and Cu[HG] as models for Cu(II) binding to the prion protein octarepeat region

Pushie, Jake, Rauk, Arvi

Journal:

JBIC Journal of Biological Inorganic Chemistry

Year:

2003

Language:

english

File:

PDF, 716 KB

english, 2003

86

2,5-Dioxybicyclo[2.2.2]octane-3,6-diones. A conformational study by ab initio molecular orbital methods and molecular mechanics calculations

Arvi Rauk, Carlos Jaime, Igor V. Vystorop, Victor M. Anisimov, Remir G. Kostyanovsky

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 756 KB

english, 1995

87

The effect of the anti-inflammatory cytokines interleukin-4 and interleukin-10 on lipopolysaccharide-stimulated production of prostaglandin E2 by cultured human decidual cells

Hyagriv N. Simhan, Justin C. Chura, Phillip N. Rauk

Journal:

Journal of Reproductive Immunology

Year:

2004

Language:

english

File:

PDF, 77 KB

english, 2004

88

To Push or Not to Push: An Evidenced-Based Guideline Shown to Improve Maternal and Neonatal Outcomes

Samantha A. Sommerness, Becky L. Gams, Charles Hirt, Phillip Rauk

Journal:

Journal of Obstetric, Gynecologic, & Neonatal Nursing

Year:

2012

Language:

english

File:

PDF, 603 KB

english, 2012

89

The chemistry of Alzheimer’s disease

Journal:

Chemical Society Reviews

Year:

2009

Language:

english

File:

PDF, 1.67 MB

english, 2009

90

Electronic and Vibrational Circular Dichroism of Model β-Lactams: 3-Methyl- and 4-Methylazetidin-2-one

McCann, Jennifer, Rauk, Arvi, Shustov, Gennadii V., Wieser, Hal, Yang, Danya

Journal:

Applied Spectroscopy

Year:

1996

Language:

english

File:

PDF, 1.18 MB

english, 1996

91

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

Armstrong, D.A., Yu, D., Rauk, A.

Journal:

Canadian Journal of Chemistry

Year:

1996

File:

PDF, 2.04 MB

1996

92

NMR and Computational Studies of the Configurational Properties of Spirodioxyselenuranes. Are Dynamic Exchange Processes or Temperature-Dependent Chemical Shifts Involved?

Press, David J., McNeil, Nicole M. R., Rauk, Arvi, Back, Thomas G.

Journal:

Journal of Organic Chemistry

Year:

2012

Language:

english

File:

PDF, 477 KB

english, 2012

93

The HERON reaction Origin, theoretical background, and prevalence

Glover, Stephen A, Rauk, Arvi, Buccigross, Jeanne M, Campbell, John J, Hammond, Gerard P, Mo, Guoning, Andrews, Luke E, Gillson, Ashley-Mae E

Journal:

Canadian Journal of Chemistry

Year:

2005

Language:

english

File:

PDF, 496 KB

english, 2005

94

Mechanistic consequences of charge transfer systems in serine proteases and angiotensin: Semiempirical computations

A. Rauk, G. Hamilton, G.J. Moore

Journal:

Biochemical and Biophysical Research Communications

Year:

1987

Language:

english

File:

PDF, 368 KB

english, 1987

95

Alzheimer’s disease and the ‘ABSENT’ hypothesis: mechanism for amyloid β endothelial and neuronal toxicity

Samir Roy, Arvi Rauk

Journal:

Medical Hypotheses

Year:

2005

Language:

english

File:

PDF, 466 KB

english, 2005

96

The effect of relaxin on the oxytocin receptor in human uterine smooth muscle cells

Ulrike Friebe‐Hoffmann, Dunja M. Baston, Jye‐Ping Chiao, Liza D. Winebrenner, Jan S. Krüssel, Thomas K. Hoffmann, Jens Hirchenhain, Phillip N. Rauk

Journal:

Regulatory Peptides

Year:

2007

Language:

english

File:

PDF, 913 KB

english, 2007

97

The influence of interleukin-1β on oxytocin signalling in primary cells of human decidua

U. Friebe-Hoffmann, D.M. Baston, T.K. Hoffmann, J.P. Chiao, P.N. Rauk

Journal:

Regulatory Peptides

Year:

2007

Language:

english

File:

PDF, 805 KB

english, 2007

98

Toward Site Specificity of Oxidative Damage in Proteins: C−H and C−C Bond Dissociation Energies and Reduction Potentials of the Radicals of Alanine, Serine, and Threonine ResiduesAn ab Initio Study

Rauk, A., Yu, D., Armstrong, D. A.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 287 KB

english, 1997

99

The Structures and Stabilities of the Complexes of Biologically Available Ligands with Fe(II) Porphine: An Ab Initio Study

Wondimagegn, Tebikie, Rauk, Arvi

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 1.14 MB

english, 2012

100

Interleukin-1 Stimulates Human Uterine Prostaglandin Production Through Induction of Cyclooxygenase-2 Expression

PHILLIP N. RAUK, JYE-PING CHIAO

Journal:

American Journal of Reproductive Immunology

Year:

2000

Language:

english

File:

PDF, 305 KB

english, 2000