G. R. Maré

发表

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

G. D. Maré, Y. Moussaoui, G. R. Maré, 2009 .

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

O. Ouamerali, G. D. Maré, Y. Moussaoui, 1998 .

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

C. Bock, G. D. Maré, G. R. De Maré, 2018, Chemical Data Collections.

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

C. Bock, Y. Panchenko, G. D. Maré, 1992 .

Abinitio study of rotational isomerism in acrolein

G. R. Maré, 1985 .

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

G. D. Maré, G. Collin, H. Deslauriers, 1990 .

Thermal dimerization of 1,3-cyclohexadiene in the gas phase

M. Toth, G. Huybrechts, P. Goldfinger, 1971 .

Proton magnetic resonance study of rotational isomerism in vinylcycloalkanes

S. Lapaille, G. R. Maré, 1980 .

An MP2/6-31G*/MP2/6-31G* vibrational analysis of s-trans- and s-cis-acryloyl fluoride, CH2=CH-CF=O

C. Bock, Y. Panchenko, G. R. Maré, 1994 .

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

G. D. Maré, E. Evleth, G. R. Maré, 1992 .

Rate constants for the recombination of CCl3 radicals and for their reactions with Cl, Cl2 and HCl in the gas phase

G. D. Maré, G. Huybrechts, G. R. Maré, 1968 .

Chlorine Photosensitized Oxidation of Chloromethanes, -Ethanes and-Ethylenes

J. Olbregts, G. R. Maré, 1982 .

Rate of recombination of C6F10Cl radicals in the gas phase

M. Toth, G. D. Maré, G. Huybrechts, 1970 .

Photosensitization by benzaldehyde in the gas phase. Cis- and trans-1,2-dichloroethylene

G. D. Maré, M. Termonia, M-C. Fontaine, 1971 .

Effect of molecular geometry relaxation on the potential energy function of internal rotation

Y. Panchenko, A. V. Abramenkov, G. R. Maré, 1992 .

Heterogeneous Photosensitization. Part II. Kinetics of the Gas‐Phase cis‐trans isomerization of 1,3‐pentadiene sensitized by 1,3‐cyclohexadiene photopolymer[1]

G. Huybrechts, P. Goldfinger, M. Sapir, 2010 .

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

G. D. Maré, G. R. Maré, 1977 .

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

G. D. Maré, M. Termonia, G. R. Maré, 1974 .

Triplet Oxiranes : Application of Quantum Mechanical Methods to the Study of the Reactions of Triplet Isomeric Oxiranes

G. D. Maré, G. R. Maré, 1981 .

Indo theoretical studies: torsional barriers of vinyl groups on cyclopropane rings

C. Pittman, G. D. Maré, L. Kispert, 1973 .

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

M. R. Peterson, I. Csizmadia, O. Strausz, 1983 .

Photopolymerization of benzaldehyde vapour at 366 nm

G. D. Maré, James R. Fox, G. R. Maré, 1986 .

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

G. D. Maré, G. Collin, G. R. Maré, 1987 .

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

J. V. Auwera, Y. Panchenko, G. R. Maré, 1997 .

Effective potential function of internal rotation in the nonrigid approximation

C. Bock, Y. Panchenko, G. D. Maré, 1996 .

The Mercury photosensitized reactions of cycloalkanes

G. R. Maré, 1978 .

THE Hg 6(3P1) PHOTOSENSITIZED DECOMPOSITION OF CYCLOHEXENE VAPOR

O. Strausz, H. E. Gunning, G. D. Maré, 1965 .

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

A. Balaban, R. Poirier, G. D. Maré, 1989 .

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

Y. Panchenko, A. V. Abramenkov, G. R. Maré, 1987 .

The structure and CC vibrational frequencies of the all-trans polyenes C2nH2n+2(n = 2 − 15), C2nH2n(Me)2(n = 2 – 13), and C2nH2n(tert-Butyl)2(n = 2 – 5): Computational results

C. Bock, G. D. Maré, Niny Z Rao, 2017 .

Vibrational analysis of buta-1,3-diene and its deutero and 13C derivatives and some of their rotational isomers

Y. Panchenko, G. D. Maré, G. R. Maré, 2008 .

Ab initio study of rotational isomerism in cyclopropanecarboxaldehyde

M. R. Peterson, G. R. Maré, 1983 .

Nuclear Magnetic Resonance Evidence for a Three-Well Torsional Potential in Vinylcyclopropane

G. D. Maré, John S. Martin, G. R. Maré, 1966 .

Ab initio study of rotational isomerism in vinylcyclopropane

M. R. Peterson, G. D. Maré, G. R. Maré, 1982 .

Ab initio study of conformational behaviour of isopropenylcyclopropane

G. D. Maré, G. R. Maré, 1987 .

Some properties of regular and canonical force fields

C. Bock, Y. Panchenko, V. I. Pupyshev, 1992 .

Ab initio study of possible intermediates in the no(4Π) catalyzed geometric isomerizations of olefins

G. R. Maré, Y. L. V. Rode, 1993 .

SOME ASPECTS OF SCALING THE MOLECULAR QUANTUM MECHANICAL FORCE FIELD

N. F. Stepanov, Y. Panchenko, G. D. Maré, 1996 .

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

N. F. Stepanov, Y. Panchenko, G. R. Maré, 1995 .

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

Y. Moussaoui, G. R. Maré, 1999 .

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

G. R. Maré, 1985 .

Infrared spectral identification of the high-energy conformer of gauche,Trans,trans,Trans,gauche-octa-1,3,5,7-tetraene

Joseph D. Larkin, C. Bock, Y. Panchenko, 2011 .

Ab initio vibrational analysis of hexafluoroethane C2F6

Y. Panchenko, G. D. Maré, G. R. Maré, 2006 .

Photosensitization by Benzaldehyde in the Gas Phase Part II. Cis- and trans-1, 3-pentadiene

G. D. Maré, G. Huybrechts, M-C. Fontaine, 2010 .

Rate of recombination of trichloromethyl radicals in the gas phase

G. Huybrechts, G. R. Maré, 1967 .

Some aspects of scaling factor calculations for quantum-mechanical molecular force fields

C. Bock, Y. Panchenko, G. R. Maré, 2005 .

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

Y. Panchenko, G. R. Maré, 2002 .

Juxtaposition of programs for the determination of scale factors for molecular quantum mechanical force fields

N. F. Stepanov, Y. Panchenko, G. R. Maré, 2000 .

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

G. D. Maré, G. R. Maré, 1984 .