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51

Configuration mixing involving σ and π orbitals

C. Giessner-Prettre, A. Pullman

Journal:

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

Year:

1971

Language:

english

File:

PDF, 396 KB

english, 1971

52

Sur les rôles respectifs des électronsσetπdans les propriétés des dérivés halogénés des molécules conjuguées. Application

H. Berthod, Cl. Giessner-Prettre, A. Pullman

Journal:

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

Year:

1967

File:

PDF, 598 KB

1967

53

Configuration mixing involving σ and π orbitals

Claude Giessner-Prettre, Alberte Pullman

Journal:

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

Year:

1970

Language:

english

File:

PDF, 560 KB

english, 1970

54

Theoretical study of the electronic properties of the purine and pyrimidine components of the nucleic acids

Hélène Berthod, Claude Giessner-Prettre, Alberte Pullman

Journal:

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

Year:

1966

Language:

english

File:

PDF, 1.04 MB

english, 1966

55

On the molecular electrostatic potentials obtained with CNDO and INDO wave functions

C. Giessner-Prettre, Alberte Pullman

Journal:

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

Year:

1974

Language:

english

File:

PDF, 210 KB

english, 1974

56

Molecular electrostatic potentials: Comparison ofab initioand CNDO results

C. Giessner-Prettre, A. Pullman

Journal:

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

Year:

1972

Language:

english

File:

PDF, 320 KB

english, 1972

57

The effect ofσandπsingly-excited configurations in the calculation of excited states by the CNDO and INDO approximations

Claude Giessner-Prettre, Alberte Pullman

Journal:

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

Year:

1969

Language:

english

File:

PDF, 722 KB

english, 1969

58

All valence-electrons calculations of the biological purines and pyrimidines

C. Giessner-Prettre, A. Pullman

Journal:

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

Year:

1968

Language:

english

File:

PDF, 498 KB

english, 1968

59

Configuration mixing involvingσandπorbitals

Claude Giessner-Prettre, Alberte Pullman

Journal:

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

Year:

1970

Language:

english

File:

PDF, 329 KB

english, 1970

60

Non empirical quantum mechanical calculations of the1H,13C,15N and17O magnetic shielding constants and of the spin-spin coupling constants in formamide, hydrated formamide and N-methylformamide

Fernando Ribas Prado, Claude Giessner-Prettre, Alberte Pullman, James F. Hinton, Dennis Harpool, Ken R. Metz

Journal:

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

Year:

1981

Language:

english

File:

PDF, 849 KB

english, 1981

61

On the molecular electrostatic potentials obtained from CNDO wave functions

Claude Giessner-Prettre, Alberte Pullman

Journal:

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

Year:

1975

Language:

english

File:

PDF, 225 KB

english, 1975

62

On the calculation of molecular dipole moments

Claude Giessner-Prettre, Alberte Pullman

Journal:

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

Year:

1968

Language:

english

File:

PDF, 312 KB

english, 1968

63

A theoretical study of Zn++interacting with models of ligands present at the thermolysin active site

Claude Giessner-Prettre, Olivier Jacob

Journal:

Journal of Computer-Aided Molecular Design

Year:

1989

Language:

english

File:

PDF, 862 KB

english, 1989

64

On the conformational dependence of the proton chemical shifts in nucleosides and nucleotides III. Proton chemical shifts of 5′-nucleotides as a function of different conformational parameters

Fernando Ribas Prado, Claude Giessner-Prettre, Bernard Pullman

Journal:

Journal of Theoretical Biology

Year:

1978

Language:

english

File:

PDF, 1.08 MB

english, 1978

65

ChemInform Abstract: Synthesis and Cycloaddition Reactions of 1-(Arylthio)-1,3-dienes. A Combined Experimental and Theoretical Study of Bicyclic Adduct Structures.

J. MADDALUNO, O. GAONAC'H, A. MARCUAL, L. TOUPET, C. GIESSNER-PRETTRE

Journal:

Year:

1996

File:

PDF, 40 KB

1996

66

Kinetics of the catalytic dehydration of 2-propanol

L. de Mourgues, F. Peyron, Y. Trambouze, M. Prettre

Journal:

Journal of Catalysis

Year:

1967

Language:

english

File:

PDF, 658 KB

english, 1967

67

Effect of the energy and number of acid sites, of a silica-alumina catalyst on its cracking ability

D. Barthomeuf, M Perrin, Y. Trambouze, M. Prettre

Journal:

Journal of Catalysis

Year:

1967

Language:

english

File:

PDF, 95 KB

english, 1967

68

Properties of chlorinated aluminas: V. Cis-2-butene isomerization over alumina and chlorinated aluminas

J. Basset, F. Figueras, M.V. Mathieu, M. Prettre

Journal:

Journal of Catalysis

Year:

1970

Language:

english

File:

PDF, 622 KB

english, 1970

69

Catalytic properties of thorium oxide in the oxidation of carbon monoxide: I. Calorimetric confirmations of adsorption and catalysis processes

Michéle Breysse, Bernard Claudel, Marcel Prettre, Jean Veron

Journal:

Journal of Catalysis

Year:

1972

Language:

english

File:

PDF, 534 KB

english, 1972

70

Infrared investigation of hydrogen adsorption on alumina-supported platinum

M. Primet, J.M. Basset, M.V. Mathieu, M. Prettre

Journal:

Journal of Catalysis

Year:

1973

Language:

english

File:

PDF, 683 KB

english, 1973

71

Infrared study of CO adsorbed on PtAl2O3. A method for determining metal-adsorbate interactions

M. Primet, J.M. Basset, M.V. Mathieu, M. Prettre

Journal:

Journal of Catalysis

Year:

1973

Language:

english

File:

PDF, 865 KB

english, 1973

72

Electronic distribution influence on molecular mechanics results

N. Gresh, O. Parisel, C. Giessner-Prettre

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 195 KB

english, 1998

73

Ab initio quantum mechanical calculations of the variation of the 1H and 13C nuclear magnetic shielding constants in proline as a function of the angle ψ

Claude GIESSNER-PRETTRE, Manh Thong CUNG, Michel MARRAUD

Journal:

Year:

1987

Language:

english

File:

PDF, 800 KB

english, 1987

74

Theoretical study of oxyhemocyanin active site: A possible insight on the first step of phenol oxidation by tyrosinase

O. Eisenstein, C. Giessner-Prettre, J. Maddaluno, D. Stussi, J. Weber

Journal:

Archives of Biochemistry and Biophysics

Year:

1992

Language:

english

File:

PDF, 948 KB

english, 1992

75

Theoretical variation of the Hα chemical shift in Acetyl-glycyl-N-methylamide and oligoglycines with molecular conformation and environment

Nohad Gresh, C. Giessner-Prettre

Journal:

Biochemical and Biophysical Research Communications

Year:

1990

Language:

english

File:

PDF, 391 KB

english, 1990

76

Theoretical NMR study of the pre-melting transition in the d-(CGCGAATTCGCG) and d-(CGCGTATACGCG) self-complementary duplexes

C. Giessner-Prettre, B. Pullman

Journal:

Year:

1983

Language:

english

File:

PDF, 308 KB

english, 1983

77

Solution conformation of the double helix formed by dickerson's dodecamer d(CGCGAATTCGCG): A theoretical proton NMR study

C. Giessner-Prettre, B. Pullman

Journal:

Biochemical and Biophysical Research Communications

Year:

1982

Language:

english

File:

PDF, 258 KB

english, 1982

78

Synthesis and Cycloaddition Reactions of 1-(Arylthio)-1,3-dienes. A Combined Experimental and Theoretical Study of Bicyclic Adducts Structures

Maddaluno, Jacques, Gaonac'h, Odile, Marcual, Albert, Toupet, Loïc, Giessner-Prettre, Claude

Journal:

Journal of Organic Chemistry

Year:

1996

Language:

english

File:

PDF, 698 KB

english, 1996

79

A NMR and Theoretical Study of the Aggregates between Alkyllithium and Chiral Lithium Amides: Control of the Topology through a Single Asymmetric Center

Corruble, Aline, Davoust, Daniel, Desjardins, Stéphanie, Fressigné, Catherine, Giessner-Prettre, Claude, Harrison-Marchand, Anne, Houte, Henri, Lasne, Marie-Claire, Maddaluno, Jacques, Oulyadi, Hassan

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 884 KB

english, 2002

80

Solution structure of DNA: The method of nuclear magnetic resonance spectroscopy

C. K. Mitra, Ramaswamy H. Sarma, C. Giessner-Prettre, Bernard Pullman

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 1.77 MB

english, 1980

81

On the atomic or “local” contributions to proton chemical shifts due to the anisotropy of the diamagnetic susceptibility of the nucleic acid bases

C. Giessner-Prettre, B. Pullman

Journal:

Biochemical and Biophysical Research Communications

Year:

1976

Language:

english

File:

PDF, 228 KB

english, 1976

82

On the atomic or “local” contributions to chemical shifts due to the anisotropy of the diamagnetic susceptibility of the aromatic side chain of amino acids and of the porphyrin ring

C. Giessner-Prettre, B. Pullman

Journal:

Biochemical and Biophysical Research Communications

Year:

1981

Language:

english

File:

PDF, 314 KB

english, 1981

83

Parameters for the calculation of the ring current and atomic magnetic anisotropy contributions to magnetic shielding constants: Nucleic acid bases and intercalating agents

F.Ribas Prado, C. Giessner-Prettre

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1981

Language:

english

File:

PDF, 802 KB

english, 1981

84

Theoretical study of phenol and 2-aminophenol docking at a model of the tyrosinase active site

Piquemal, Jean-Philip, Maddaluno, Jacques, Silvi, Bernard, Giessner-Prettre, Claude

Journal:

New Journal of Chemistry

Year:

2003

Language:

english

File:

PDF, 640 KB

english, 2003

85

Proton and carbon-13 nuclear magnetic resonance studies on purine

Cheng, Doris M., Kan, Lou S., Ts'o, Paul O. P., Giessner-Prettre, Claude, Pullman, Bernard

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 1.15 MB

english, 1980

86

Does the Mode of Dioxygen Binding to Dinuclear Copper Complexes Depend on the Spectator Nitrogen-Containing Ligands? An ab Initio Theoretical Study

Eisenstein, O., Getlicherman, H., Giessner-Prettre, C., Maddaluno, J.

Journal:

Inorganic Chemistry

Year:

1997

Language:

english

File:

PDF, 192 KB

english, 1997

87

Ab initio quantum mechanical calculations of the magnetic shielding tensor of phosphorus-31 of the phosphate group

Prado, F. Ribas, Giessner-Prettre, C., Pullman, B., Daudey, J. P.

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 853 KB

english, 1979

88

Mechanistic study of the physical quenching of excited lithium by nitrogen: comparison of diabatic and VB potential energy surfaces

Sevin, A., Giessner-Prettre, C., Hiberty, P. C., Noizet, E.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1.52 MB

english, 1991

89

Why Are Monomeric Lithium Amides Planar?

Fressigné, Catherine, Maddaluno, Jacques, Giessner-Prettre, Claude, Silvi, Bernard

Journal:

Journal of Organic Chemistry

Year:

2001

Language:

english

File:

PDF, 714 KB

english, 2001

90

General discussion

Jungers, J. C., Payman, W., Egerton, A. C., Prettre,

Journal:

Transactions of the Faraday Society

Year:

1946

Language:

english

File:

PDF, 160 KB

english, 1946

91

Fate of CH 2 CHE (E = H, OMe) in the Presence of Unsaturated Ru(X)(H)L 2 q + (X = Cl, q = 0; X = CO, q = 1): Highly Sensitive to X and E

Gérard, Hélène, Clot, Eric, Giessner-Prettre, Claude, Caulton, Kenneth G., Davidson, Ernest R., Eisenstein, Odile

Journal:

Organometallics

Year:

2000

Language:

english

File:

PDF, 283 KB

english, 2000

92

Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution

Piquemal, Jean-Philip, Gresh, Nohad, Giessner-Prettre, Claude

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 220 KB

english, 2003

93

Molecular Mechanics/Continuum Reaction Field/Quantum Mechanics Study of the Intramolecular Diels−Alder Reaction of 2-Furfuryl Derivatives

Giessner-Prettre, Claude, Hückel, Samuel, Maddaluno, Jacques, Jung, Michael E.

Journal:

Journal of Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 332 KB

english, 1997

94

Stereodynamics of ribodinucleoside monophosphates in aqueous solution

Dhingra, M. M., Sarma, Ramaswamy H., Giessner-Prettre, C., Pullman, B.

Journal:

Year:

1978

Language:

english

File:

PDF, 1.13 MB

english, 1978

95

A DFT Theoretical Analysis of Aldehyde Condensation Pathways onto Methyllithium, Lithium Dimethylamide, and Their Aggregates

Fressigné, Catherine, Maddaluno, Jacques, Marquez, Antonio, Giessner-Prettre, Claude

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 121 KB

english, 2000

96

Intramolecular .pi.-Stacking and Asymmetric Induction: A Semiempirical Theoretical Study

Maddaluno, Jacques F., Gresh, Nohad, Giessner-Prettre, Claude

Journal:

Journal of Organic Chemistry

Year:

1994

Language:

english

File:

PDF, 1.03 MB

english, 1994

97

Nonempirical calculations on dicopper(1+)-dioxygen: a possible model for oxyhemocyanin and oxytyrosinase active sites

Maddaluno, J., Giessner-Prettre, C.

Journal:

Inorganic Chemistry

Year:

1991

Language:

english

File:

PDF, 1011 KB

english, 1991

98

Influence of the Correlation, Aggregation, and Solvation on ab initio Computed Li−C, Li−N, and Li−Li NMR Coupling Constants

Parisel, Olivier, Fressigné, Catherine, Maddaluno, Jacques, Giessner-Prettre, Claude

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 75 KB

english, 2003

99

Surface and bulk reactions of carbon tetrachloride with titanium dioxide

Primet, Michel, Basset, Jean, Mathieu, Michel V., Prettre, Marcel

Journal:

Journal of Physical Chemistry

Year:

1970

Language:

english

File:

PDF, 755 KB

english, 1970

100

Ab initio quantum mechanical calculations of the magnetic shielding constants of the different nuclei of cytosine

Giessner-Prettre, C., Pullman, B.

Journal:

Journal of the American Chemical Society

Year:

1982

Language:

english

File:

PDF, 582 KB

english, 1982