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1

Electronic structure of α-MnS (alabandite): an ab initio study

Rémy Tappero, Philippe D'Arco, Albert Lichanot

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 529 KB

english, 1997

2

Ab initio Hartree-Fock study of solid beryllium oxide: structure and electronic properties

Albert Lichanot, Max Chaillet, Christiane Larrieu, Roberto Dovesi, Cesare Pisani

Journal:

Chemical Physics

Year:

1992

Language:

english

File:

PDF, 964 KB

english, 1992

3

Analysis of the topological features of the conformational potential energy surfaces of spiro [2.5] octanes by molecular mechanics calculations

Pierre Iratçabal, Daniel Liotard, Marie-Florence Grenier-Loustalot, Albert Lichanot

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 1.09 MB

english, 1985

4

Electronic structure and phase transition in magnesium sulphide

Albert Lichanot, Alain Dargelos, Christiane Larrieu, Roberto Orlando

Journal:

Solid State Communications

Year:

1994

Language:

english

File:

PDF, 313 KB

english, 1994

5

Composition of acidification effluents of sandstones through geochemical calculation: validation of fluorosilicate equilibria by potentiometric assay of F

Forsans, Thierry, Zundel, Jean-Pierre, Lichanot, Albert

Journal:

Applied Geochemistry

Year:

1993

Language:

english

File:

PDF, 516 KB

english, 1993

6

An ab initio study

Tappero, Rémy, Baraille, Isabelle, Lichanot, Albert

Journal:

Physical Review B

Year:

1998

Language:

english

File:

PDF, 183 KB

english, 1998

7

Density functional LCAO calculations of periodic systems. Effect of an ‘a posteriori’ correction of the Hartree-Fock energy on the physical properties of ionic sulfur compounds

Albert Lichanot, Mohammadou Merawa, Mauro Causà

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 514 KB

english, 1995

8

Proprietes electroniques et electrogalvaniques du seleniure d'argent β: Domaine d'existence

Gaston Bonnecaze, Albert Lichanot, Simon Gromb

Journal:

Solid State Communications

Year:

1981

Language:

english

File:

PDF, 94 KB

english, 1981

9

Reactions amines aromatiques-resines epoxydes: enthalpie et capacites calorifiques

Albert Lichanot

Journal:

Thermochimica Acta

Year:

1988

File:

PDF, 1.10 MB

1988

10

Proprietes electroniques et electrogalvaniques du sulfure d'argent α domaine d'existence

Gaston Bonnecaze, Albert Lichanot, Simon Gromb

Journal:

Journal of Physics and Chemistry of Solids

Year:

1978

File:

PDF, 881 KB

1978

11

A comparative study of the electronic structure of α-MnS (alabandite) calculated at the Hartree-Fock and Density Functional levels of theory

Rémy Tappero, Albert Lichanot

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 370 KB

english, 1998

12

A quantum-mechanical calculation of the dynamic structure factors of magnesium difluoride

Patrick Azavant, Albert Lichanot, Michel Rerat, Cesare Pisani

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 784 KB

english, 1996

13

The phase transition in alkaline-earth oxides: a comparison of ab initio Hartree-Fock and density functional calculations

Habas, Marie-Pierre, Dovesi, Roberto, Lichanot, Albert

Journal:

Journal of Physics Condensed Matter

Year:

1998

Language:

english

File:

PDF, 139 KB

english, 1998

14

Elastic properties in BeO. An ab initio Hartree-Fock calculation

Albert Lichanot, Michel Rerat

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 516 KB

english, 1993

15

Domaine d'existence du sulfure d'etain et phenomene d'associations des lacunes d'etain

Albert Lichanot, Simon Gromb

Journal:

Solid State Communications

Year:

1970

Language:

english

File:

PDF, 91 KB

english, 1970

16

Proprietes electroniques et electrogalvaniques du seleniure d'argent α domaine d'existence

Gaston Bonnecaze, Albert Lichanot

Journal:

Solid State Communications

Year:

1980

Language:

english

File:

PDF, 129 KB

english, 1980

17

Chemical and thermodynamic properties of o-, m- and p-fluorotoluene

Albert Lichanot, Claude Pouchan

Journal:

Thermochimica Acta

Year:

1990

Language:

english

File:

PDF, 549 KB

english, 1990

18

Proprietes electroniques du seleniure d'etain SnSe fritte: Domaine d'existence

Par Alain Dumon, Albert Lichanot, Simon Gromb

Journal:

Solid State Communications

Year:

1976

Language:

english

File:

PDF, 107 KB

english, 1976

19

Compton profiles of the isoelectronic BeO and BN molecules: an ab initio study

Michel Rérat, Albert Lichanot

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 531 KB

english, 1996

20

Compared electron charge densities for the series of solid phosphide compounds; an ab initio study

Lichanot, Albert, Causà, Mauro

Journal:

Journal of Physics Condensed Matter

Year:

1997

Language:

english

File:

PDF, 157 KB

english, 1997

21

Proprietes electroniques du seleniure d'etain SnSe Fritte: Domaine d'existence

Alain Dumon, Albert Lichanot, Simon Gromb

Journal:

Journal of Physics and Chemistry of Solids

Year:

1977

File:

PDF, 1.08 MB

1977

22

Proprietes electroniques et electrogalvaniques du seleniure d'argent β: Domaine d'existence

Gaston Bonnecaze, Albert Lichanot, Simon Gromb

Journal:

Journal of Physics and Chemistry of Solids

Year:

1981

File:

PDF, 553 KB

1981

23

Propriétés électroniques et électrogalvaniques du séléniure d'argent α-domaine d'existence

Gaston Bonnecaze, Albert Lichanot, Simon Gromb

Journal:

Journal of Physics and Chemistry of Solids

Year:

1980

File:

PDF, 675 KB

1980

24

Proprietes electroniques et electrogalvaniques du tellurure d'argent α domaine d'existence

Gaston Bonnecaze, Albert Lichanot, Simon Gromb

Journal:

Journal of Physics and Chemistry of Solids

Year:

1983

File:

PDF, 745 KB

1983

25

Proprietes electrogalvaniques et electroniques du sulfure d'argent β: Domaine d'existence

Gaston Bonnecaze, Albert Lichanot, Simon Gromb

Journal:

Journal of Physics and Chemistry of Solids

Year:

1978

File:

PDF, 934 KB

1978

26

Relaxation and electronic structure of surfaces in lithium sulphide: A Hartree-Fock ab initio approach

Taieb Ouazzani, Albert Lichanot, Cesare Plsani, Carla Roetti

Journal:

Journal of Physics and Chemistry of Solids

Year:

1993

Language:

english

File:

PDF, 745 KB

english, 1993

27

A quantum chemical method for the calculation of dynamic structure factors: Applications to silicon, magnesium oxide and beryllium oxide

Patrick Azavant, Albert Lichanot, Michel Rerat, Max Chaillet

Journal:

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

Year:

1994

Language:

english

File:

PDF, 664 KB

english, 1994

28

Ab Initio Self-Consistent Calculations of the Polarizability and Related Functions of Cubic SiC

Ayma, David, Lichanot, Albert, Rérat, Michel

Journal:

Journal of Physical Chemistry B

Year:

1999

Language:

english

File:

PDF, 64 KB

english, 1999

29

Hartree-fock ab initio study of relaxation and electronic structure of lithium oxide slabs

Albert Lichanot, Michel Gelize, Christiane Larrieu, Cesare Pisani

Journal:

Journal of Physics and Chemistry of Solids

Year:

1991

Language:

english

File:

PDF, 944 KB

english, 1991

30

Proprietes electroniques et electrogalvaniques dutellurure d'argent β domaine d'existence

Gaston Bonnecaze, Albert Lichanot, Daniel Liotard, André Adell, Simon Gromb

Journal:

Journal of Physics and Chemistry of Solids

Year:

1983

File:

PDF, 750 KB

1983

31

Electronic, magnetic structures and neutron diffraction in B1 and B3 phases of MnS: a density functional approach

Rémy Tappero, Pierre Wolfers, Albert Lichanot

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 165 KB

english, 2001

32

Structural, electronic, and vibrational properties of solid Sr(OH)[sub 2], calculated with different Hamiltonians

Mérawa, Mohammadou, Civalleri, Bartolomeo, Ugliengo, Piero, Noël, Yves, Lichanot, Albert

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 612 KB

english, 2003

33

Comparison of Hartree-Fock and density functional theory structure factors and charge density in diamond, silicon and germanium

Pere, Joël, Gelizé-Duvignau, Michel, Lichanot, Albert

Journal:

Journal of Physics Condensed Matter

Year:

1999

Language:

english

File:

PDF, 430 KB

english, 1999

34

Détermination des modèles d'imperfections de différentes variétés allotropiques du sulfure cuivreux (digénite cubique, chalcocite hexagonale “haute et basse température”, chalcocite orthorhombique)

Alain Dumon, Albert Lichanot, Simon Gromb

Journal:

Journal of Solid State Chemistry

Year:

1977

File:

PDF, 965 KB

1977

35

Compton profiles and polarizability as two similar probes of the electronic structure of 14 electron diatomic molecules: An ab initio study

Mohammadou Mérawa, Michel Rérat, Albert Lichanot

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 242 KB

english, 1999

36

Dynamic 13C NMR study of the cyclohexane ring in spirocyclohexanes

Pierre Iratçabal, Marie-Florence Grenier-Loustalot, Albert Lichanot, Franck Metras

Journal:

Magnetic Resonance in Chemistry

Year:

1980

Language:

english

File:

PDF, 306 KB

english, 1980

37

Effect of the quality of the atomic orbitals basis set on the relaxation and electronic structure of the (110) surface of lithium oxide

Taieb Ouazzani, Albert Lichanot, Cesare Pisani

Journal:

Journal of Physics and Chemistry of Solids

Year:

1995

Language:

english

File:

PDF, 343 KB

english, 1995

38

Ab initio self-consistent calculations of the Compton profiles and polarizabilities of diamond and cubic boron nitride

Ayma, David, Rérat, Michel, Lichanot, Albert

Journal:

Journal of Physics Condensed Matter

Year:

1998

Language:

english

File:

PDF, 232 KB

english, 1998

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