E. Kochanski

发表

Some problems with the accuracy in ab initio calculations of the static dipole polarizability components: example of the OH− ion ☆

R. Moszynski, A. Milet, G. Weck, 2002 .

Electric properties of the oxonium ion in its ground and two lowest excited states

A. Strich, E. Kochanski, S. Klein, 1996 .

The OH−(H2O)2 system: efficiency of ab initio and DFT calculations for two- and three-body interactions

R. Moszynski, A. Milet, O. Ouamerali, 2002 .

Theoretical study of the anisotropy of the CO + H2 potential energy surface in the non-reactive region

D. Flower, E. Kochanski, J. Prissette, 1978 .

Intermolecular interactions : use of small basis sets in ab initio calculations

E. Kochanski, 1984 .

Intermolecular interactions of dichloromethane with Pd(IV) organometallic compounds: can we use small basis sets in ab initio MP2 and DFT calculations?

A. Dedieu, E. Kochanski, Thierry Visentin, 1998 .

Fast approximation of the first-order intermolecular interaction energy: ab initio calculations using biorthogonal orbitals ☆

C. Cézard, G. Weck, E. Kochanski, 2001 .

An ab initio potential energy surface for the study of COH2 collision at thermal energies

J. Launay, D. Flower, E. Kochanski, 1979 .

MC–SCF and CI calculations for the ammonia molecule

B. Roos, P. Siegbahn, A. Veillard, 1973 .

All valence-electrons calculations on purines and pyrimidines

A. Pullman, E. Kochanski, A. Denis, 1968 .

Behavior and Evolution of the First 28 Protonated Hydrates from Monte Carlo Studies

E. Kochanski, R. Kelterbaum, 1995 .

Theoretical studies of sulfuric acid monohydrate: Neutral or ionic complex?

E. Kochanski, L. Kurdi, 1989 .

Role of Cancellation of Errors in Ab Initio Calculations: Structure and Energetics of the OH- (H2O) System and Electric Dipole Properties of the Subsystems

R. Moszynski, A. Milet, G. Weck, 2002 .

An MC SCF calculation for the ammonia molecule

A. Veillard, E. Kochanski, P. Déjardin, 1972 .

Approximate theoretical determination of molecular static polarizabilities

E. Kochanski, G. Seger, 1980 .

Non-additivity of SCF interaction energies in H3O+H2O)2

E. Kochanski, 1987 .

CORRIGENDUM: Rotational excitation of para-NH3 by para-H2

G. Diercksen, G. Danby, D. Flower, 1987 .

Calculation of the dispersion contribution to the interaction energy of two hydrogen molecules at large but finite distances

E. Kochanski, 1971 .

The metal—rare-gas interaction. The dispersion energy of Mo(CO)5Kr

A. Veillard, E. Kochanski, A. Rossi, 1979 .

Ab initio calculation of the intermolecular energy between two hydrogen molecules near the van der Waals minimum

E. Kochanski, 1975 .

Decades of Theoretical Work on Protonated Hydrates

Elise Kochanski, R. Kelterbaum, S. Klein, 1997 .

Non-empirical interpretation of nitrogen 14 nuclear quadropole coupling constants

J. Lehn, B. Lévy, E. Kochanski, 1979 .

Nitrogen nuclear quadrupole coupling constants in heterocyclic molecules from ab initio molecular-orbital wavefunctions

J. Lehn, B. Lévy, E. Kochanski, 1969 .

The electronic structure of cyclopropane, cyclopropene and diazirine an ab initio SCF-LCAO-MO study

J. Lehn, E. Kochanski, 1969 .

On the possibilities of semiempirical calculations of zero‐field splitting parameters

A. Pullman, E. Kochanski, 2009 .

Ab initio self-consistent field calculations on molecular iodine-ammonia and hydrogen iodide-ammonia. The classic "charge-transfer" interaction, an example of gas-phase proton transfer, and the duality of Lewis acid sites on hydrogen iodide

P. Kollman, A. Dearing, E. Kochanski, 1982 .

Evaluation of the intermolecular energy between two hydrogen molecules near the van der Waals minimum, from a perturbative procedure

E. Kochanski, 1973 .

An Electrophilic Addition Reaction in Solution: C2H4 + Cl2. Ab initio studies

E. Kochanski, 1980 .

AB initio calculations of the OHH2 potential energy surface

D. Flower, E. Kochanski, 1981 .

Rotational excitation of ortho-NH3 by para-H2

G. Diercksen, D. Flower, P. Valiron, 1986 .

Dispersion energy between two neon atoms from an ab initio perturbative procedure

E. Kochanski, 1974 .

Ab initio SCF-CI studies of the intermolecular interaction between two hydrogen molecules near the Van der Waals minimum

P. Siegbahn, E. Kochanski, M. H. Wood, 1973 .

Quantum Mechanical Determination of Intermolecular Interactions. Ab Initio Studies

E. Kochanski, 1981 .

Theoretical study of the [chlorine] (Cl2)2 dimer

E. Kochanski, J. Prissette, 1978 .

THEORETICAL STUDY OF SOME ETHYLENE-HALOGEN MOLECULE (CHLORINE, BROMINE, IODINE) COMPLEXES AT LARGE AND INTERMEDIATE DISTANCES FROM AB INITIO CALCULATIONS

E. Kochanski, J. Prissette, G. Seger, 1978 .

Ab initio SCF study of the ethylene + chlorine reaction

M. Jaszuński, E. Kochanski, 1977 .

(Cl2)2: Planar or not planar? A charge transfer complex or a van der Waals molecule?

E. Kochanski, 1982 .

Use of some predominant intermolecular (or interatomic) energy contributions to characterize van der waals molecules. Ab initio calculations on two neon atoms

E. Kochanski, J. Prissette, 1977 .

Ab initio calculations on the H4 van der Waals dimer: perturbation dispersion energy versus CI treatment

P. Siegbahn, M. Jaszuński, E. Kochanski, 1977 .

Metal-rare gas interaction. A new bond?

A. Veillard, E. Kochanski, J. Demuynck, 1979 .

Alternative algorithms for optimizing an ellipsoidal cavity in self-consistent reaction field calculations. Example of an organometallic complex

A. Dedieu, E. Kochanski, Thierry Visentin, 1999 .

Photoprocesses in transition metal complexes, biosystems, and other molecules : experiment and theory

E. Kochanski, Other Molecules Experiment, 1992 .

Intermolecular interaction from biorthogonal orbitals: new developments

J. Gouyet, E. Kochanski, Gaétan Weck *, 2005 .

Theoretical study of the OH−(H2O)2 system: Nature and importance of three-body interactions

P. Wormer, R. Moszynski, A. Milet, 1998 .

Anisotropic intermolecular interactions in van der Waals and hydrogen-bonded complexes: What can we get from density functional calculations?

Tatiana Korona, Anne Milet, Robert Moszynski, 1999 .

About the first solvation shell of protonated hydrates: H3O+(H2O)6

R. Wiest, P. Wormer, J. Langlet, 1990 .

Three-body forces effect in Monte Carlo studies of protonated hydrates

E. Kochanski, R. Kelterbaum, 1996 .

Traps in modelling intermolecular three-body forces: example of the water system and protonated hydrates

E. Kochanski, A. Rahmouni, N. Turki, 1994 .

About the nature of intermolecular three‐body forces in ionic systems: The case of protonated hydrates

E. Kochanski, A. Rahmouni, N. Turki, 1994 .

Dispersion energy in rare gas dimers from an ab initio perturbative procedure: Ne + Ne, Ar + Ar

E. Kochanski, 1975 .

Electric properties of the water molecule in 1A1, 1B1, and 3B1 electronic states: Refined CASSCF and CASPT2 calculations

A. J. Sadlej, A. Strich, E. Kochanski, 1996 .

CASSCF/CASPT2 Studies of the Lowest States of H5O2+

A. J. Sadlej, A. Strich, E. Kochanski, 1997 .

Theoretical Studies of H+(H2O)5

G. Corongiu, E. Kochanski, R. Kelterbaum, 1995 .

H3O+...H2O: comparison between some analytical forms of the intermolecular energy

E. Kochanski, 1986 .

Theoretical studies of the system H3O+(H2O)n for n = 1, 9

E. Kochanski, E. Kochanski, 1985 .

Theoretical studies of ionic atmospheric clusters involving water. quantum mechanical and monte carlo calculations

E. Kochanski, A. Rahmouni, 1989 .

Ab initio intermolecular energies between Li+ and H2 near the van der waals minimum: comparison between a perturbative procedure and an SCF supermolecule treatment

E. Kochanski, 1974 .

Ab initio studies of the intermolecular interactions between two hydrogen molecules near the van der Waals minimum from a perturbation procedure using biorthogonal orbitals

J. Gouyet, E. Kochanski, 1975 .

Cyclooctatetraene and related systems. An ab initio SCF LCAO MO study

J. Lehn, U. Wahlgren, G. Wipff, 1971 .

Theoretical Studies of the System H3O+(H2O)n for n: 1‐9

E. Kochanski, 1986 .