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1

New approach for the electronic energies of the hydrogen molecular ion

Tony C. Scott, Monique Aubert-Frécon, Johannes Grotendorst

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 234 KB

english, 2006

2

DFT calculations of isomer effects upon NMR spin-Hamiltonian parameters of prostate polyamines

Z. Atieh, A.R. Allouche, M. Aubert-Frécon

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 537 KB

english, 2010

3

[IEEE 2010 IEEE International Conference on Imaging Systems and Techniques (IST) - Thessaloniki, Greece (2010.07.1-2010.07.2)] 2010 IEEE International Conference on Imaging Systems and Techniques - Solvent, isomers and vibrational effects in DFT calculations for the NMR spin-Hamiltonian parameters of alanine

Atieh, Zeinab, Allouche, Abdul-Rahman, Aubert-Frecon, Monique, Graveron-Demilly, Danielle

Year:

2010

Language:

english

File:

PDF, 823 KB

english, 2010

4

Asymptotic calculation of the exchange interaction between two long-range interacting atoms with open valence shells of any type

Hadinger, Gisèle, Hadinger, Gerold, Bouty, O., Aubert-Frécon, M.

Journal:

Physical Review A

Year:

1994

Language:

english

File:

PDF, 182 KB

english, 1994

5

Analytical Formulas for Long-Range Energies of the 16 Ω(+/−)g,uStates of Alkali Dimers Dissociating into M(ns) +M(np2PJ)

M. Aubert-Frécon, G. Hadinger, S. Magnier, S. Rousseau

Journal:

Journal of Molecular Spectroscopy

Year:

1998

Language:

english

File:

PDF, 216 KB

english, 1998

6

An Analytical Formula for the Energy of the Bound Long-Range 0−g((1)3Πg) State of Cs2

M. Aubert-Frécon, S. Rousseau, G. Hadinger, S. Magnier

Journal:

Journal of Molecular Spectroscopy

Year:

1998

Language:

english

File:

PDF, 122 KB

english, 1998

7

Potential Energies, Permanent and Transition Dipole Moments for Numerous Electronic Excited States of NaK

S. Magnier, M. Aubert-Frécon, Ph. Millié

Journal:

Journal of Molecular Spectroscopy

Year:

2000

Language:

english

File:

PDF, 174 KB

english, 2000

8

Theoretical Study of the Electronic Structure of the KRb Molecule

S. Rousseau, A.R. Allouche, M. Aubert-Frécon

Journal:

Journal of Molecular Spectroscopy

Year:

2000

Language:

english

File:

PDF, 198 KB

english, 2000

9

Calculated long-range potential energy curve for the B O+u molecular state of I2

M. Saute, M. Aubert-Frecon

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 357 KB

english, 1982

10

Calculated long-range electrostatic and dispersion interactions of M(ns2S) with M(ns2S) or M(np2P) for M = Li and Na when neglecting spin—orbit effects

B. Bussery, M. Aubert-Frecon

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 554 KB

english, 1984

11

Semi-empirical investigation of the angular dependence of the interaction energy between two ground-state oxygen molecules

B. Bussery, M. Aubert-Frécon

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 430 KB

english, 1991

12

Theoretical study of the low-lying electronic states of the BaH+ molecular ion

A.R. Allouche, F. Spiegelmann, M. Aubert-Frécon

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 466 KB

english, 1993

13

Theoritical study of low-lying electronic states of the CaLi molecule

A.R. Allouche, M. Aubert-Frècon

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 445 KB

english, 1994

14

Prolate-spheroidal models for monoexcited states of diatomic molecules. Application to H2

M. Aubert-Frécon, C. Le Sech

Journal:

Journal of Molecular Spectroscopy

Year:

1981

Language:

english

File:

PDF, 1.21 MB

english, 1981

15

Prolate-spheroidal semiempirical model for some monoexcited states Πg and Δg of Na2

A. Alikacem, M. Aubert-Frécon

Journal:

Journal of Molecular Spectroscopy

Year:

1983

Language:

english

File:

PDF, 632 KB

english, 1983

16

Correlated wavefunction containing no variational parameters for some bound and autoionizing triplet states of H2

M. Aubert-Frécon, C. Lesech, Ph. Pluvinage

Journal:

Journal of Molecular Spectroscopy

Year:

1984

Language:

english

File:

PDF, 491 KB

english, 1984

17

Potential energy curves and vibration-rotation energies for the two purely long-range bound states 1u and 0g− of the alkali dimers M2 dissociating to M(ns2S12) + M(np2P32) with M = Na, K, Rb, and Cs

B. Bussery, M. Aubert-Frécon

Journal:

Journal of Molecular Spectroscopy

Year:

1985

Language:

english

File:

PDF, 471 KB

english, 1985

18

Collisional energy transfer in Na2 between the excited states B1Πu and (2)1Σg+: Experimental results and theoretical interpretation

K. Hussein, M. Aubert-Frécon, O. Babaky, J. D'Incan, C. Effantin, J. Vergès

Journal:

Journal of Molecular Spectroscopy

Year:

1985

Language:

english

File:

PDF, 1.11 MB

english, 1985

19

Long-range interactions between two identical alkali atoms Li and Na in various electronic states

B. Bussery, M. Aubert-Frécon

Journal:

Journal of Molecular Spectroscopy

Year:

1986

Language:

english

File:

PDF, 358 KB

english, 1986

20

Perturbative model for the energy of the (1)1Πg state of Li2 and Na2 at medium internuclear distances

Gièle Hadinger, M. Aubert-Frécon

Journal:

Journal of Molecular Spectroscopy

Year:

1992

Language:

english

File:

PDF, 243 KB

english, 1992

21

Diabatic molecular states and the shielded diatomic orbital method. Evolution of two-interacting state systems for molecular hydrogen

M. Aubert-Frecon, M. Desouter-Lecomte

Journal:

Chemical Physics

Year:

1977

Language:

english

File:

PDF, 937 KB

english, 1977

22

Spheroidal multipolar expansions for intermolecular energy in crystal theory. I. Formalism

Monique Aubert-Frécon

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 875 KB

english, 1978

23

Spheriodal multipolar expansions for intermolecular energy in crystal theory .: II. Lattice energy of the orthorhombic structure of actylene crystal

Monique Aubert-Frécon

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 413 KB

english, 1978

24

Calculated long-range ground and excited molecular states of alkali hydride molecules

Béatrice Bussery, Monique Aubert-Frécon, Marcel Saute

Journal:

Chemical Physics

Year:

1986

Language:

english

File:

PDF, 659 KB

english, 1986

25

Long-range molecular states dissociating to the three or four lowest asymptotes for the ten heteronuclear diatomic alkali molecules

Béatrice Bussery, Yamina Achkar, Monique Aubert-Frécon

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.47 MB

english, 1987

26

Semi-empirical determination of the long-range molecular states dissociating to C(3PJ)+O(3PJ′)

B. Bussery, M.E. Rosenkrantz, D.D. Konowalow, M. Aubert-frécon

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 953 KB

english, 1989

27

A ligand-field approach for the low-lying states of Ca, Sr and Ba monohalides

A.R. Allouche, G. Wannous, M. Aubert-Frécon

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 965 KB

english, 1993

28

Theoretical study of the low-lying electronic states of the BaNa molecule

N. Boutassetta, A.R. Allouche, M. Aubert-Frécon

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 454 KB

english, 1994

29

Theoretical study of the electronic structure of the Ba2 molecule

A.R. Allouche, M. Aubert-Frécon, G. Nicolas, F. Spiegelmann

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 701 KB

english, 1995

30

Electric dipole, polarizability and structure of cesium chloride clusters with one-excess electron

A. Jraij, A.R. Allouche, F. Rabilloud, M. Korek, M. Aubert-Frécon, D. Rayane, I. Compagnon, R. Antoine, M. Broyer, Ph. Dugourd

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 352 KB

english, 2006

31

Theoretical electronic structure of the lowest-lying states of the LaCl molecule

H. Fahs, M. Korek, A.R. Allouche, M. Aubert-Frécon

Journal:

Chemical Physics

Year:

2004

Language:

english

File:

PDF, 236 KB

english, 2004

32

Theoretical electronic structure of the lowest-lying states of the YI molecule

S. Abdul-Al, A.R. Allouche, M. Korek, M. Aubert-Frécon

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 319 KB

english, 2005

33

Theoretical electronic structure including spin–orbit effects of the alkali dimer cation

A. Jraij, A.R. Allouche, M. Korek, M. Aubert-Frécon

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 372 KB

english, 2005

34

Existence of weakly bound states for metal–benzene molecules confirmed from a long-range model

M. Aubert-Frécon, F. Rabilloud, A.R. Allouche, D. Rayane, R. Antoine, M. Broyer, Ph. Dugourd

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 204 KB

english, 2005

35

Theoretical and experimental investigation of the 1H NMR spectrum of putrescine

A.R. Allouche, D. Graveron-Demilly, F. Fauvelle, M. Aubert-Frécon

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 297 KB

english, 2008

36

Self-broadening and shifting of the Li(2s–2p) and K(4s–4p) line cores

L. Reggami, M. Bouledroua, A.R. Allouche, M. Aubert-Frécon

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

2009

Language:

english

File:

PDF, 298 KB

english, 2009

37

Charge transfers in mixed silicon–alkali clusters and dipole moments

C. Sporea, F. Rabilloud, M. Aubert-Frécon

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 687 KB

english, 2007

38

Pure long-range ion-pair Cs2 molecules

T Ban, H Skenderović, R Beuc, I Krajcar Bronić, S Rousseau, A.R Allouche, M Aubert-Frécon, G Pichler

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 1.82 MB

english, 2001

39

Structural electric dipole in small ionic nanocrystals

D. Rayane, A.R. Allouche, I. Compagnon, R. Antoine, M. Aubert-Frécon, M. Broyer, Ph. Dugourd

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 215 KB

english, 2003

40

Experimental and theoretical investigations of ionization potentials and structures of mixed sodium lithium clusters

E Benichou, A.R Allouche, M Aubert-Frecon, R Antoine, M Broyer, Ph Dugourd, D Rayane

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 260 KB

english, 1998

41

Theoretical electronic structure of the lowest-lying states of the LaI molecule

F. Taher-Mansour, A.R. Allouche, M. Aubert-Frécon

Journal:

Journal of Molecular Spectroscopy

Year:

2003

Language:

english

File:

PDF, 161 KB

english, 2003

42

Observation of the K2 43Δg state by cw perturbation-facilitated optical–optical double resonance spectroscopy

J. Magnes, E. Ahmed, C. Goldberg, A.Marjatta Lyyra, Sylvie Magnier, Monique Aubert-Frécon, Yaoming Liu, Li Li

Journal:

Journal of Molecular Spectroscopy

Year:

2003

Language:

english

File:

PDF, 218 KB

english, 2003

43

Static dipolar polarizabilities for various electronic states of alkali atoms

S Magnier, M Aubert-Frécon

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

2002

Language:

english

File:

PDF, 90 KB

english, 2002

44

Theoretical determination of the K2+ electronic structure

Sylvie Magnier, Monique Aubert-Frécon

Journal:

Journal of Quantitative Spectroscopy and Radiative Transfer

Year:

2003

Language:

english

File:

PDF, 147 KB

english, 2003

45

Theoretical study of the electronic structure of the LiRb and NaRb molecules

M. Korek, A.R. Allouche, M. Kobeissi, A. Chaalan, M. Dagher, K. Fakherddin, M. Aubert-Frécon

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 183 KB

english, 2000

46

Theoretical study of the electronic structure of KLi and comparison with experiments

S. Rousseau, A.R. Allouche, M. Aubert-Frécon, S. Magnier, P. Kowalczyk, W. Jastrzebski

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 229 KB

english, 1999

47

Electrostatic potential for some non-spherical organic molecules: An oblate-spheroidal dipolar approximation

Claude Décoret, Bernard Tinland, Jean-Louis Royer, Monique Aubert-Frécon

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1980

Language:

english

File:

PDF, 296 KB

english, 1980

48

Variational calculations in a halfspace for the interaction of a ground and excited state helium atom with its mirror image

C. Le Sech, G. Hadinger, M. Aubert-Frécon

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1994

Language:

english

File:

PDF, 584 KB

english, 1994

49

Exchange Energy for Two-Active-Electron Diatomic Systems Within the Surface Integral Method

T.C. Scott, M. Aubert-Frécon, D. Andrae, J. Grotendorst, J.D. Morgan III, M.L. Glasser

Journal:

Applicable Algebra in Engineering, Communication and Computing

Year:

2004

Language:

english

File:

PDF, 789 KB

english, 2004

50

Asymptotics of Quantum Mechanical Atom-Ion Systems

T. C. Scott, M. Aubert-Frécon, D. Andrae

Journal:

Applicable Algebra in Engineering, Communication and Computing

Year:

2002

Language:

english

File:

PDF, 161 KB

english, 2002