M. Sana

发表

Molecular properties and basis set quality: An approach based on information theory

G. Maroulis, G. Leroy, M. Sana, 1981 .

A Molecular Mean Field Model for a Rectangular to Hexagonal Phase Transitionin Discotic Liquid Crystals

C. D. Mukherjee, M. Sana, D. Ghose, 1989 .

On the possibility of transition states in homolytic bond dissociations

J. Dannenberg, G. Leroy, M. Sana, 1990 .

The theoretical study of the heats of formation of organic compounds containing the substituents CH/sub 3/, CF/sub 3/, NH /sub 2/, NF/sub 2/, NO/sub 2/, OH and F

D. Peeters, G. Leroy, M. Sana, 1988 .

Theoretical study of the vinyl azide-.upsilon.-triazole isomerization

M. Nguyen, G. Leroy, L. Burke, 1978 .

On the Complementarity of Theoretical and Experimental Approaches To Chemical Problems

D. Peeters, G. Leroy, M. Sana, 1989 .

Contribution to the Theoretical Study of Reaction Mechanisms

M. Nguyen, G. Leroy, L. Burke, 1979 .

Ab initio study of the structures and thermodynamic properties of some gem-disubstituted propyl radicals. The effects of ethyl groups on the stabilization energies of these disubstituted radicals

G. Leroy, M. Sana, F. D. Valle, 1992 .

Early stages of LiX, BeH2X, and BH3X pyrolysis (X stands for NH3 or OH2): A theoretical study of weak dative complex stability

G. Leroy, M. Sana, 1993 .

Theoretical thermochemistry of some LiXHn and BeXHn compounds

G. Leroy, M. Sana, 1990 .

Theoretical study of the Diels-Alder reaction

G. Leroy, L. Burke, M. Sana, 1975 .

A theoretical investigation of the structure and reactivity of nitrogen-centred radicals

D. Peeters, G. Leroy, M. Sana, 1987 .

A theoretical approach to substituent effects in radical chemistry

D. Peeters, G. Leroy, M. Sana, 1986 .

Refinement and extension of the table of standard energies for bonds involving hydrogen and various atoms of groups IV to VII of the periodic table

G. Leroy, M. Sana, Claude Wilante, 1993 .

Viewpoint 3 — The thermochemistry of radical polymerizations in the gas phase: a theoretical contribution

G. Leroy, M. Sana, Claude Wilante, 1993 .

The Influence of Gem-substitution On the Stability of Open-shell and Closed-shell Systems - the Captodative and Anomeric Effects Reexamined

G. Leroy, M. Sana, Claude Wilante, 1991 .

Determination of new Benson's like increments containing NO2 and/or NF2 groups

D. Peeters, G. Leroy, M. Sana, 1991 .

Revaluation of the bond energy terms for bonds between atoms of the first rows of the periodic table, including lithium, beryllium and boron

G. Leroy, M. Sana, Claude Wilante, 1991 .

Information theory and basis set quality. Automatic classification and systematic improvement of approximate wavefunctions IV. A study on BH(X1Σ+), CH(X2Πr) and NH(X3Σ−)

G. Maroulis, G. Leroy, M. Sana, 1985 .

Contribution To the Theoretical-study of the Onno Dimer

G. Leroy, M. Sana, 2010 .

Information theory and basis set quality: automatic classification and systematic improvement of approximate molecular wavefunctions: a study on OH radical

G. Maroulis, G. Leroy, M. Sana, 1984 .

Bond-dissociation energies of organic compounds. A tentative rationalization based on the concept of stabilization energy

R. M. Nemba, G. Leroy, M. Sana, 1989 .

From Theoretical Chemistry to Molecular Shape and Reactive Transformation

M. Sana, 1985 .

Theoretical study of hydrogen abstraction reactions CH4 + R → CH3 + HR, geometrical, energetical and kinetical aspects

J. Villaveces, G. Leroy, M. Sana, 1984 .

Enthalpies of Formation and Bond-energies in Lithium, Beryllium, and Boron Derivatives - a Theoretical Attempt for Data Rationalization

Georges Leroy, Michel Sana, Claude Wilante, 1991 .

The Thermochemistry of Radical Polymerizations in the Gas-phase - a Theoretical Contribution

G. Leroy, M. Sana, Claude Wilante, 1983 .

THEORETICAL-STUDY OF CYCLOADDITION OF NITRONE TO ETHYLENE

M. Nguyen, G. Leroy, M. Sana, 1978 .

Reactions of 1,3-dipoles in Aqueous-solution .4. Theoretical-study of the Reaction of Water With the 1,3 Dipoles Fulminic Acid and Acetonitrile Oxide - Concerted Reactions With a Proton Slide At the Transition-state

G. Leroy, A. F. Hegarty, M. Sana, 1980 .

Substituent Effects On the Strength of Single Bonds and in Free-radical Chemistry

G. Leroy, M. Sana, Claude Wilante, 1990 .

Stereoelectronic Effect in Anionic 1,1-addition To Isocyanides - An Abinitio Study of the H- + Hnc System

G. Leroy, A. F. Hegarty, M. Sana, 1985 .

Evaluation of the bond energy terms for the various types of boron-nitrogen bonds

G. Leroy, M. Sana, Claude Wilante, 1993 .

Theoretical investigation of a new class of persistent nitrogen centred radicals

G. Leroy, M. Sana, Claude Wilante, 1990 .

Heats of Formation of Some Small Molecules and Radicals

D. Peeters, G. Leroy, M. Sana, 1987 .

Determination of Bond-energy Terms in Silicon-containing Compounds

G. Leroy, M. Sana, Claude Wilante, 1992 .

Stereoelectronic Effect in Anionic 1,1‐Addition to Isocyanides. An ab Initio Study of the H‐ + HNC System

G. Leroy, A. F. Hegarty, M. Sana, 1985 .

Theoretical thermochemistry. The enthalpies of formation of some XHn and XYHn compounds

Georges Leroy, Michel Sana, G. Leroy, 1991 .

The theoretical study of the heats of formation of organic compounds containing the substituents CH3, CF3, NH2, NF2, NO2, OH and F

D. Peeters, G. Leroy, M. Sana, 1988 .

Theoretical study of the azido-tetrazole isomerization

J. Elguero, G. Leroy, L. Burke, 1976 .

Classical and non-classical silicon radical cations: HnSiX˙+ species (X = N, O, F, P, S and Cl)

M. Nguyen, L. Vanquickenborne, M. Decrem, 1994 .

The Distonic Hc+ (oh)och2 Radical Cation - a Stable Isomer of Ionized Methyl Formate

M. Nguyen, R. Flammang, L. Vanquickenborne, 1991 .

Comment On the Accurate Theoretical Determination of Heats of Formation

Michel Sana, Minh Tho Nguyen, M. Nguyen, 1992 .

Heats of formation of isomeric [C, H4, O]+, [C, H3, N]+ and [C, H5, N]+ radical cations

M. Nguyen, M. Hilali, L. Vanquickenborne, 1992 .

Theoretical study of B2Hn, (with n=2 to 6): molecules and related positive ions

G. Leroy, C. Henriet, M. Sana, 1989 .

Classical and Non-Classical Silicon Radical Cations: HnSiX×+ Species (X: N, O, F, P, S and Cl)

M. Nguyen, L. Vanquickenborne, M. Decrem, 1995 .

A Theoretical Investigation of the Nuclear and Electronic-structure of Some Xyhn(q) Small Molecules and Ions

G. Leroy, M. Sana, 1987 .

Experimental designs for finding stationary points and for computing force constant matrix

M. Sana, 1981 .

Graph theory, electronic structures and reaction mechanisms

G. Leroy, M. Sana, 1984 .

A semi-empirical method for the estimation of activation barriers and kinetic parameters of atom transfer reactions

G. Leroy, M. Sana, 1986 .

From rate constants to potential energy hypersurfaces through the transition state theory formalism. Evaluation of the activation barriers of some hydrogen abstraction reactions

G. Leroy, M. Sana, 1986 .

Thermochemistry and Kinetics of Ionic and Radical Reactions in the Gas Phase

D. Peeters, G. Leroy, M. Sana, 1989 .

A Theoretical Approach To Dehydrodimerization Reactions

G. Leroy, M. Sana, 1988 .

Theoretical study of the borane and diborane positive ions

G. Leroy, C. Henriet, M. Sana, 1989 .

The enthalpies of formation of substituted methyl radicals: A theoretical contribution

G. Leroy, M. Sana, Claude Wilante, 1991 .

Enthalpies of Formation and Bond-energies in Lithium, Beryllium, and Boron Derivatives .2. Dative, Single, and Triple Bonds

G. Leroy, M. Sana, Claude Wilante, 1992 .

The experimental design for computing the harmonic and anharmonic force constant matrices of polyatomic molecules

M. Sana, 1982 .

Heats of formation of some energetic compounds containing NO2 and/or NF2 groups

D. Peeters, S. Bourasseau, G. Leroy, 1989 .

Theoretical Investigation of a Possible New Class of Stable Aminyl Radicals

G. Leroy, M. Sana, Claude Wilante, 1988 .

An internal coordinate invariant reaction pathway

G. Leroy, M. Sana, G. Reckinger, 1981 .

A Numerical Approach for Finding Stationary Points and for Computing Force Constant Matrices: The Experimental Designs in Local Analytical Surfaces. Application to the Vibrational and to the Thermodynamical Analysis

M. Sana, 1981 .