Rauk, Arvi: search on Z-Library

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1

Orbital Interaction Theory of Organic Chemistry || Reactive Intermediates

Year:

2000

Language:

english

File:

PDF, 342 KB

english, 2000

2

Optical activity. I. Rotational strengths of twisted ethylene, nonplanar 1,3-butadiene, and the chiral methylcyclohexanones from molecular orbital wave functions

Rauk, Arvi, Jarvie, John O., Ichimura, Hideo, Barriel, Jose M.

Journal:

Journal of the American Chemical Society

Year:

1975

Language:

english

File:

PDF, 1.02 MB

english, 1975

3

Pyramidale Inversion

Dr. Arvi Rauk, Prof. Leland C. Allen, Prof. Kurt Mislow

Journal:

Angewandte Chemie

Year:

1970

Language:

german

File:

PDF, 1.64 MB

german, 1970

4

Structures and Stabilities of Fe2+/3+ Complexes Relevant to Alzheimer’s Disease: An ab Initio Study

Alí-Torres, Jorge, Rodríguez-Santiago, Luis, Sodupe, Mariona, Rauk, Arvi

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.74 MB

english, 2011

5

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

6

Electronic Structure and Inversion Barrier of Ammonia

Journal:

The Journal of Chemical Physics

Year:

1970

Language:

english

File:

PDF, 898 KB

english, 1970

7

The Effect of Bond Function Polarization on the l.c.a.o.–m.o.–s.c.f. Calculation of Bond Angles and Energy Barriers

Jarvie, John O., Rauk, Arvi, Edmiston, Clyde

Journal:

Canadian Journal of Chemistry

Year:

1974

Language:

english

File:

PDF, 290 KB

english, 1974

8

Protonated Ethane. A Theoretical Investigation of C2H7+ Structures and Energies

Carneiro, Jose Walkimar de M., Schleyer, Paul v. R., Saunders, Martin, Remington, Richard, Schaefer, Henry F., Rauk, Arvi, Sorensen, Theodore S.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.25 MB

english, 1994

9

β-N-Methylamino-L-alanine (BMAA) Not Involved in Alzheimer’s Disease

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 2.35 MB

english, 2018

10

The possible role of chlorine trioxide isomers in relation to stratospheric ozone

Rauk, Arvi, Tschuikow-Roux, E., Chen, Yonghua, McGrath, Mark P., Radom, Leo

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.50 MB

english, 1993

11

Chiroptical properties of disulfides. Ab initio studies of dihydrogen disulfide and dimethyl disulfide

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 1.01 MB

english, 1984

12

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

13

Comparison of STO-3G and 3-21G ab initio harmonic force fields for ethane, propane, dimethyl ether, and cyclobutane: effects of geometry and scaling on calculated frequencies, eigenvectors, and infrared absorption intensities

Shaw, R. Anthony, Ursenbach, Charles, Rauk, Arvi, Wieser, Hal

Journal:

Canadian Journal of Chemistry

Year:

1988

Language:

english

File:

PDF, 871 KB

english, 1988

14

Electronic structure of PH5 and intramolecular ligand exchange in phosphoranes. Model studies

Rauk, Arvi, Allen, Leland C., Mislow, Kurt

Journal:

Journal of the American Chemical Society

Year:

1972

Language:

english

File:

PDF, 686 KB

english, 1972

15

Isomerization of cyclopropylidene to allene

Rauk, Arvi, Bouma, Willem J., Radom, Leo

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 779 KB

english, 1985

16

Radicals and ions of formic and acetic acids: an ab initio study of the structures and gas and solution phase thermochemistry

Yu, Dake, Rauk, Arvi, Armstrong, David A.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1994

Language:

english

File:

PDF, 1.14 MB

english, 1994

17

Solution thermochemistry of the radicals of glycine

Armstrong, David A., Rauk, Arvi, Yu, Dake

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1995

Language:

english

File:

PDF, 1.19 MB

english, 1995

18

On the question of negative activation energies: absolute rate constants by RRKM and G1 theory for methyl + hydrogen halide .fwdarw. methane + halogen (Cl, Br) reactions

Chen, Yonghua, Rauk, Arvi, Tschuikow-Roux, E.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1.79 MB

english, 1991

19

Magnetic non-equivalence of fluorine atoms of a trifluoromethyl group

Khan, Mohsin A., Tavares, Donald F., Rauk, Arvi

Journal:

Canadian Journal of Chemistry

Year:

1982

Language:

english

File:

PDF, 330 KB

english, 1982

20

Structure, barriers for internal rotation, vibrational frequencies, and thermodynamic functions of the sec-butyl radical: an ab initio study

Chen, Yonghua., Rauk, Arvi., Tschuikow-Roux, E.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 634 KB

english, 1990

21

Copper(I) chelators for Alzheimer’s disease

Opare, Stanley, Rauk, Arvi

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 1.12 MB

english, 2017

22

ChemInform Abstract: ELEKTRONENSTRUKTUR VON PH5 UND INTRAMOLEKULARER LIGANDENAUSTAUSCH IN PHOSPHORANEN, MODELLUNTERSUCHUNGEN

RAUK, ARVI, ALLEN, LELAND C., MISLOW, KURT

Journal:

Chemischer Informationsdienst

Year:

1972

File:

PDF, 180 KB

1972

23

ChemInform Abstract: THEORETISCHE UNTERSUCHUNG DES EDWARD-LEMIEUX-EFFEKTES (ANOMERER EFFEKT), STEREOCHEMISCHE BEDINGUNGEN BENACHBARTER ELEKTRONENPAARE UND POLARER BINDUNGEN

WOLFE, SAUL, RAUK, ARVI, TEL, LUIS M., CSIZMADIA, I. G.

Journal:

Chemischer Informationsdienst. Organische Chemie

Year:

1971

File:

PDF, 211 KB

1971

24

ChemInform Abstract: Synthesis and Cyclooxygenase Inhibitory Activities of Some N-Acylhydrazone Derivatives of Isoxazolo[4,5-d]pyridazin-4(5H)-ones.

Oya Uensal-Tan, Kevser Oezden, Arvi Rauk, Ayla Balkan

Journal:

Year:

2010

Language:

english

File:

PDF, 25 KB

english, 2010

25

The ground and excited states of hydrogen sulfide, methanethiol, and hydrogen selenide

Arvi Rauk, Scott Collins

Journal:

Journal of Molecular Spectroscopy

Year:

1984

Language:

english

File:

PDF, 992 KB

english, 1984

26

Orbital Interaction Theory of Organic Chemistry || Carbonyl Compounds

Year:

2000

Language:

english

File:

PDF, 204 KB

english, 2000

27

Orbital Interaction Theory of Organic Chemistry || Orbital and State Correlation Diagrams

Year:

2000

Language:

english

File:

PDF, 441 KB

english, 2000

28

Stereochemistry and chiroptical properties of the nonplanar nitrosamine group in N-nitrosoaziridines

Shustov, G. V., Kachanov, A. V., Kadorkina, G. K., Kostyanovskii, R. G., Rauk, Arvi

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 1.65 MB

english, 1992

29

Structures, binding energies, and thermodynamic functions of NH 4+ , NH 3•+ , and their H 2 O complexes

Armstrong, David A., Rauk, Arvi, Yu, Dake

Journal:

Canadian Journal of Chemistry

Year:

1993

Language:

english

File:

PDF, 564 KB

english, 1993

30

The mechanism of an intramolecular Michael addition: a MNDO study

Ellis, Graham W. L., Tavares, Donald F., Rauk, Arvi

Journal:

Canadian Journal of Chemistry

Year:

1985

Language:

english

File:

PDF, 322 KB

english, 1985

31

Structures, barriers for rotation and inversion, vibrational frequencies, and thermodynamic functions of ethyl, α-fluoroethyl, and α,α-difluoroethyl radicals: An ab inito study

Chen, Yonghua, Rauk, Arvi, Tschuikow-Roux, E.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 910 KB

english, 1990

32

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

33

Mechanism of Hydrogen Peroxide Production by Copper-Bound Amyloid Beta Peptide: A Theoretical Study

Hewitt, Nadine, Rauk, Arvi

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 428 KB

english, 2009

34

The optical activity of the three-membered ring: oxiranes, aziridines, diaziridines, and oxaziridines

Journal:

Journal of the American Chemical Society

Year:

1981

Language:

english

File:

PDF, 953 KB

english, 1981

35

A Computational Investigation of the Stereoisomerism in Heteroatom-Substituted Amides

Rauk, Arvi, Glover, Stephen A.

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 377 KB

english, 1996

36

Molecular Dynamics Study of the Beta Amyloid Peptide of Alzheimer's Disease and Its Divalent Copper Complexes

Raffa, Duilio F., Rauk, Arvi

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 603 KB

english, 2007

37

Semiempirical calculation of barriers to pyramidal inversion. Extension to the third row of the periodic table

Andose, Joseph D., Rauk, Arvi, Mislow, Kurt

Journal:

Journal of the American Chemical Society

Year:

1974

Language:

english

File:

PDF, 527 KB

english, 1974

38

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

39

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

Wondimagegn, Tebikie, Rauk, Arvi

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.35 MB

english, 2011

40

Conformational Analysis of Glutathione in Aqueous Solution with Molecular Dynamics

Lampela, Outi, Juffer, André H., Rauk, Arvi

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 498 KB

english, 2003

41

Testing synthetic amyloid-β aggregation inhibitor using single molecule atomic force spectroscopy

Hane, Francis T., Lee, Brenda Y., Petoyan, Anahit, Rauk, Arvi, Leonenko, Zoya

Journal:

Biosensors and Bioelectronics

Year:

2014

Language:

english

File:

PDF, 3.02 MB

english, 2014

42

A DFT Study on the Formation of a Phosphohistidine Intermediate in Prostatic Acid Phosphatase

Sharma, Satyan, Rauk, Arvi, Juffer, André H.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1.64 MB

english, 2008

43

Influence of β-Sheet Structure on the Susceptibility of Proteins to Backbone Oxidative Damage: Preference for α C-Centered Radical Formation at Glycine Residues of Antiparallel β-Sheets

Rauk, Arvi, Armstrong, David A.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 170 KB

english, 2000

44

Alkoxy radicals in the gaseous phase: β-scission reactions and formation by radical addition to carbonyl compounds

Rauk, Arvi, Boyd, Russell J, Boyd, Susan L, Henry, David J, Radom, Leo

Journal:

Canadian Journal of Chemistry

Year:

2003

File:

PDF, 245 KB

2003

45

Heats of Formation from G2, G2(MP2), and G2(MP2,SVP) Total Energies

Nicolaides, Athanassios, Rauk, Arvi, Glukhovtsev, Mikhail N., Radom, Leo

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 295 KB

english, 1996

46

The electronic structure and optical activity of conjugated dienes: 1,3-Butadiene and α- and β-phellandrene

Arvi Rauk, H. Allan Peoples

Journal:

Journal of Computational Chemistry

Year:

1980

Language:

english

File:

PDF, 1.36 MB

english, 1980

47

Regioselective Preparation of 2,4-, 3,4-, and 2,3,4-Substituted Furan Rings. 2. 1 Regioselective Lithiation of 2-Silylated-3-substituted Furan Rings

Bures, Edward, Nieman, James A., Yu, Shuyuan, Spinazzé, Patrick G., Bontront, Jean-Louis J., Hunt, Ian R., Rauk, Arvi, Keay, Brian A.

Journal:

Journal of Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 394 KB

english, 1997

48

Carboxyl Free Radicals: Formyloxyl (HCOO.bul.) and Acetyloxyl (CH3COO.bul.) Revisited

Rauk, Arvi, Yu, Dake, Armstrong, David A.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.33 MB

english, 1994

49

Mechanism of Dioxirane Oxidation of CH Bonds: Application to Homo- and Heterosubstituted Alkanes as a Model of the Oxidation of Peptides

Shustov, Gennady V., Rauk, Arvi

Journal:

Journal of Organic Chemistry

Year:

1998

Language:

english

File:

PDF, 209 KB

english, 1998

50

Cheletropic Decomposition of Cyclic Nitrosoamines Revisited: The Nature of the Transition States and a Critical Role of the Ring Strain †

Shustov, Gennady V., Rauk, Arvi

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 199 KB

english, 2000

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