De Maré, George R. : rechercher sur Z-Library

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1

Energies of selected conformers/rotamers of the unsubstituted linear polyenes C 2 n H 2 n +2 : Results at the B3LYP/6-311++G( d,p ) ( n  = 2–14) and MP2(FC)/aug-cc-pVDZ ( n  = 2–7) computational levels

De Maré, George R., Bock, Charles W.

Journal:

Chemical Data Collections

Année:

2018

Langue:

english

Fichier:

PDF, 947 KB

english, 2018

2

Extreme Values: Theory and Technical Applications [with Discussion and Reply]

Georg Lindgren, Holger Rootzén, Dag Tjøstheim, Richard A. Davis, L. Nilsson, S. Uvell, Anders Milhøj and Jacques de Maré

Journal:

Scandinavian Journal of Statistics

Année:

1987

Langue:

english

Fichier:

PDF, 3.74 MB

english, 1987

3

Properties of the phosphorus oxide radical, PO, its cation and anion in their ground electronic states: comparison of theoretical and experimental data

Moussaoui, Yahia, Ouamerali, Ourida, De Maré, George R.

Journal:

International Reviews in Physical Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 306 KB

english, 2003

4

Books for Austria

H. I. Bell, Beveridge, G. N. Clark, Geoffrey Crowther, Walter de la Mare, Campbell Dodgson, T. S. Eliot, George Franckenstein, F. A. Hayek, H. F. Jolowicz, Lindsay Of Birker, O. E. Niemeyer, Edna Purd

Journal:

The Burlington Magazine for Connoisseurs

Année:

1947

Langue:

english

Fichier:

PDF, 325 KB

english, 1947

5

The evaluation of an oral health education program for midwives in Australia

George, Ajesh, Lang, Gillian, Johnson, Maree, Ridge, Allison, de Silva, Andrea M., Ajwani, Shilpi, Bhole, Sameer, Blinkhorn, Anthony, Dahlen, Hannah G., Ellis, Sharon, Yeo, Anthony, Langdon, Rachel, C

Journal:

Women and Birth

Année:

2015

Langue:

english

Fichier:

PDF, 288 KB

english, 2015

6

The Hg 6(3P1) photosensitized reactions of 3-methylcyclohexene

George R. De Maré

Journal:

Bulletin des Sociétés Chimiques Belges

Année:

1972

Langue:

english

Fichier:

PDF, 324 KB

english, 1972

7

GC/MS SEPARATION AN IDENTIFICATION OF THE C5H10 ISOMERS. APPLICATION TO THE Hg 6(3P1) PHOTOSENSITIZED REACTIONS OF cis-2-PENTENE, 1-PENTENE AND trans-1,2-DIMEHYLCYCLOPROPANE

George R. De Maré, Marc Termonia

Journal:

Bulletin des Sociétés Chimiques Belges

Année:

1995

Langue:

english

Fichier:

PDF, 444 KB

english, 1995

8

Effective internal rotation potential energy function of acryloyl fluoride, CH2 CH CF O

Charles W. Bock, Alexander V. Abramenkov, George R. De Maré, Yurii N. Panchenko

Journal:

Journal of Computational Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 340 KB

english, 1992

9

Proton magnetic resonance study of rotational isomerism in vinylcycloalkanes

George R. De Maré, Serge Lapaille

Journal:

Magnetic Resonance in Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 238 KB

english, 1980

10

Quantum yields of the Hg 6(3P1 photosensitized isomerizations of cis- and trans-butene-2

Marc Termonia, George R. De Maré

Journal:

Chemical Physics Letters

Année:

1974

Langue:

english

Fichier:

PDF, 310 KB

english, 1974

11

Theoretical studies of C2H4O isomers: Part 1. Acetaldehyde ground, triplet n → π∗ and triplet n → 3s electronic states

Michael R. Peterson, George R. de Mare, Imre G. Csizmadia, Otto P. Strausz

Journal:

Journal of Molecular Structure

Année:

1983

Langue:

english

Fichier:

PDF, 1.04 MB

english, 1983

12

Inverse isotopic shifts in the vibrational spectra of the isotopomers of methanimine, H2C  NH

Yurii N. Panchenko, George R. De Maré, Charles W. Bock

Journal:

Journal of Molecular Structure

Année:

1992

Langue:

english

Fichier:

PDF, 1.22 MB

english, 1992

13

Some properties of regular and canonical force fields

Vladimir I. Pupyshev, Yurii N. Panchenko, George R. De Maré, Charles W. Bock

Journal:

Journal of Molecular Structure

Année:

1992

Langue:

english

Fichier:

PDF, 1.09 MB

english, 1992

14

Some aspects of scaling the molecular quantum mechanical force field

Vladimir I. Pupyshev, Nikolai F. Stepanov, Sergei V. Krasnoshchiokov, George R. De Maré, Yurii N. Panchenko

Journal:

Journal of Molecular Structure

Année:

1996

Langue:

english

Fichier:

PDF, 518 KB

english, 1996

15

Evidence for a biphotonic process in the mercury-photosensitized decomposition of ethylene oxide in the gas phase

George R. De Maré

Journal:

Journal of Photochemistry

Année:

1977

Langue:

english

Fichier:

PDF, 421 KB

english, 1977

16

Photosensibilisation (253,7 nm) et photolyse directe (184,9 nm) du cis-pentène-2 gazeux

George R. De Maré, Guy J. Collin, H. Deslauriers, J. Gawłowski

Journal:

Journal of Photochemistry

Année:

1985

Fichier:

PDF, 1.14 MB

1985

17

Photopolymerization of benzaldehyde vapour at 366 nm

George R. De Maré, James R. Fox

Journal:

Journal of Photochemistry

Année:

1986

Langue:

english

Fichier:

PDF, 645 KB

english, 1986

18

Ring contraction of cyclic olefins: chemical processes specific to electronically excited states?

Guy J. Collin, George R. De Maré

Journal:

Journal of Photochemistry

Année:

1987

Langue:

english

Fichier:

PDF, 773 KB

english, 1987

19

Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene. XI. Secondary periodicity

Yurii N. Panchenko, Alexander V. Abramenkov, George R. De Maré

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2009

Langue:

english

Fichier:

PDF, 546 KB

english, 2009

20

Vibrational spectra and ab initio analysis of tert-butyl, trimethylsilyl, trimethylgermyl, trimethylstannyl and trimethylplumbyl derivatives of 3,3-dimethylcyclopropene. XII. 1,2-Di-tert-butyl-3,3-dimethylcyclopropene

Armin de Meijere, Viktor V. Sokolov, Dmitry S. Yufit, Yurii N. Panchenko, George R. De Maré, Alexander V. Abramenkov, Boris V. Lokshin, Vladimir M. Senyavin

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2010

Langue:

english

Fichier:

PDF, 374 KB

english, 2010

21

Ab initio study of the reactions: Ethylene → H + vinyl, propylene → methyl + vinyl, and propylene → H + propen-2-yl

Yahia Moussaoui, George R. De Maré

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2009

Langue:

english

Fichier:

PDF, 212 KB

english, 2009

22

Philosophy of scaling the quantum mechanical molecular force field versus philosophy of solving the inverse vibrational problem

Yurii N. Panchenko, George R. De Maré

Journal:

Journal of Molecular Structure

Année:

2002

Langue:

english

Fichier:

PDF, 102 KB

english, 2002

23

Theoretical characterization of the thermodynamics of the photoisomerizations of ethylene and propylene

Earl M. Evleth, George R. De Maré, Heng Z. Cao, Guy J. Collin

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 663 KB

english, 1996

24

Use of ab initio computational results and experimental frequencies to construct the internal rotational potential function for acrolein

George R. De Maré, Yurii N. Panchenko, A.V. Abramenkov

Journal:

Journal of Molecular Structure

Année:

1987

Langue:

english

Fichier:

PDF, 582 KB

english, 1987

25

The NO(4Π)-catalysed geometric isomerization of the 2-butenes

George R. De Maré, Yves Lantonnois Van Rode

Journal:

Journal of Photochemistry and Photobiology A: Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 572 KB

english, 1992

26

All-trans- and t,T,t,C,t,T,t-deca-1,3,5,7,9-Pentaenes: Ab Initio Structures, Vibrational Analyses, and Some Regularities in the Series of Related Molecules

Yurii N. Panchenko, George R. De Maré, Ricardo Aroca, Charles W. Bock

Journal:

Structural Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 243 KB

english, 2000

27

Ab initio study of C5H7 radicals involved in the photolyses of 3-methylcyclopentene and 3-methyl-1,4-pentadiene and 3-mythyl-1,4-pentadiene

George R. De Mare, Guy J. Collin

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1991

Langue:

english

Fichier:

PDF, 1.05 MB

english, 1991

28

Ab initio study of C-H bond breaking in olefins: Part I. General valence bond and multiconfigurational self-consistent field computations on2H4 → H2C = CH + H

George R. De Maré, Earl M. Evleth

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1992

Langue:

english

Fichier:

PDF, 1.03 MB

english, 1992

29

Ab initio study of the basis set dependence of the structural parameters, relative energies and fundamental frequencies of glyoxal

George R. De Maré

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1992

Langue:

english

Fichier:

PDF, 1.25 MB

english, 1992

30

Search for adequate harmonic force field matrices that least deviate from the starting ones

Nikolai F. Stepanov, George R. De Mare, Yu.N. Panchenko

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1995

Langue:

english

Fichier:

PDF, 614 KB

english, 1995

31

Theoretical study of the properties of the radical PS, its anion and cation

Yahia Moussaoui, Ourida Ouamerali, George R. De Maré

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1998

Langue:

english

Fichier:

PDF, 967 KB

english, 1998

32

ADDITION OF OXYGEN AS A DIAGNOSTIC TEST IN MERCURY 6 (3P1) PHOTOSENSITIZATION

George R. De Maré

Journal:

Photochemistry and Photobiology

Année:

1978

Langue:

english

Fichier:

PDF, 284 KB

english, 1978

33

Isomerization of unsaturated radicals. VI. Isomerization of 3-cyclopenlenyl and pentamethylene radicals

George R. De Maré, Hélène Deslauriers, Guy J. Collin

Journal:

Research on Chemical Intermediates

Année:

1990

Langue:

english

Fichier:

PDF, 3.12 MB

english, 1990

34

Conformations of triplet carbonyl compounds: Formaldehyde, acetaldehyde, propionaldehyde and acetone

Michael R. Peterson, George R. De Maré, Imre G. Csizmadia, Otto P. Strausz

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1981

Langue:

english

Fichier:

PDF, 1012 KB

english, 1981

35

Structures of C3H6O species in the triplet state: Methyloxirane, propanal, acetone, methyl vinyl ether and propenol

Michael R. Peterson, George R. de Mare

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1982

Langue:

english

Fichier:

PDF, 739 KB

english, 1982

36

Ab initio study of rotational isomerism in vinylcyclopropane

George R. De Maré, Michael R. Peterson

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1982

Langue:

english

Fichier:

PDF, 767 KB

english, 1982

37

Ab initio study of rotational isomerism in cyclopropanecarboxaldehyde

George R. De Mare, Michael R. Peterson

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1983

Langue:

english

Fichier:

PDF, 1.07 MB

english, 1983

38

Rotational barriers and stable rotamers in 1,3-butadiene, acrolein and glyoxal

George R. De Maré

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1984

Langue:

english

Fichier:

PDF, 325 KB

english, 1984

39

Theoretical studies of C2H4O isomers: Part 1. Acetaldehyde ground, triplet n → π* and triplet n → 3s electronic states

Michael R. Peterson, George R. De Maré, Imre G. Csizmadia, Otto P. Strausz

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1983

Langue:

english

Fichier:

PDF, 1004 KB

english, 1983

40

Ab initio study of rotational isomerism in 1,3-butadiene. Effect 21 of geometry optimization and basis set size on the barriers to rotation and on the stable rotamers

George R. De Mare, Daniel Neisius

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1984

Langue:

english

Fichier:

PDF, 1.49 MB

english, 1984

41

Ab initio investigation of the effect of geometry optimization and configuration interaction on the relative energies and structures of the ground and lowest excited states of thioformaldehyde

George R. De Mare

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1985

Langue:

english

Fichier:

PDF, 348 KB

english, 1985

42

Ab initio study of conformational behaviour of isopropenylcyclopropane

George R. De Maré

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1987

Langue:

english

Fichier:

PDF, 1.01 MB

english, 1987

43

Ab initio study of neutral O2, SO, S2, C2H2 and their mono- and dications

Alexandru T. Balaban, George R. De Maré, Raymond A. Poirier

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1989

Langue:

english

Fichier:

PDF, 1.10 MB

english, 1989

44

Theoretical study of the nitrous acid conformers: Comparison of theoretical and experimental structures, relative energies, barrier to rotation and vibrational frequencies

De Mare, George R., Moussaoui, Yahia

Journal:

International Reviews in Physical Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 474 KB

english, 1999

45

Structural and vibrational analyses of t,C,t,T,t,T,t-deca-1,3,5,7,9-pentaene

Panchenko, Yurii N., Bock, Charles W., De Maré, George R., Abramenkov, Alexander V.

Journal:

Vibrational Spectroscopy

Année:

2013

Langue:

english

Fichier:

PDF, 266 KB

english, 2013

46

DEVELOPMENTS IN THE ROYAL SOCIETY OF MEDICINE.

Panchenko, Yurii N., Bock, Charles W., De Maré, George R., Abramenkov, Alexander V.

Journal:

Année:

1912

Langue:

english

Fichier:

PDF, 182 KB

english, 1912

47

Communicating at the top

De Mare, George

Journal:

IEEE Transactions on Professional Communication

Année:

1981

Langue:

english

Fichier:

PDF, 319 KB

english, 1981

48

Structure of the High-Energy Conformer of 1,3-Butadiene

De Maré, George R., Panchenko, Yurii N., Vander Auwera, Jean

Journal:

Journal of Physical Chemistry A

Année:

1997

Langue:

english

Fichier:

PDF, 210 KB

english, 1997

49

Ab initio study of C—H bond breaking in olefins. II. GVB computations on propene ↔ H + cis - or trans -propen-1-yl

De Maré, George R., Evleth, Earl M., Poirier, Raymond A., Collin, Guy J.

Journal:

Canadian Journal of Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 543 KB

english, 1994

50

An empirically corrected quantum mechanical potential energy curve of internal rotation of acryloyl fluoride, CH 2 =CH-CF=O

De Maré, George R., Panchenko, Yurii N., Abramenkov, Alexander V., Bock, Charles W.

Journal:

Canadian Journal of Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 452 KB

english, 1993