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1

Computer programming for nucleic acid studies II. Total chemical shifts calculation of all protons of double-stranded helices

C Giessner-Prettre, F Ribas Prado, B Pullman, Lou-sing Kan, James R Kast, P.O.P Ts'o

Journal:

Computer Programs in Biomedicine

Year:

1981

Language:

english

File:

PDF, 1.15 MB

english, 1981

2

Theoretical study on the proton chemical shifts of hydrogen bonded nucleic acid bases

Giessner-Prettre, Claude, Pullman, Bernard, Caillet, Jacqueline

Journal:

Nucleic Acids Research

Year:

1977

Language:

english

File:

PDF, 622 KB

english, 1977

3

Modeling of Copper(II) Complexes with the SIBFA Polarizable Molecular Mechanics Procedure. Application to a New Class of HIV-1 Protease Inhibitors

Ledecq, Marie, Lebon, Florence, Durant, François, Giessner-Prettre, Claude, Marquez, Antonio, Gresh, Nohad

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 328 KB

english, 2003

4

Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF

Jean-Philip Piquemal, Ben Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 143 KB

english, 2003

5

Modeling Copper(I) Complexes: SIBFA Molecular Mechanics versus ab Initio Energetics and Geometrical Arrangements

Gresh, N., Policar, C., Giessner-Prettre, C.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 304 KB

english, 2002

6

Intermolecular nuclear shielding values for protons of purines and flavins

Claude Giessner-Prettre, Bernard Pullman

Journal:

Journal of Theoretical Biology

Year:

1970

Language:

english

File:

PDF, 419 KB

english, 1970

7

A Theoretical Investigation of Enantioselectivity: Michael Reaction of Secondary Enamines with Enones

Alain Sevin, Daniel Masure, Claude Giessner-Prettre, Michel Pfau

Journal:

Helvetica Chimica Acta

Year:

1990

Language:

english

File:

PDF, 1.42 MB

english, 1990

8

Nonempirical quantum-mechanical calculations of contributions of intermolecular interactions to nuclear magnetic shielding constants. II. applications to conjugated molecules

S Ferchiou, C Giessner-Prettre

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 644 KB

english, 1969

9

Semiempirical calculations of the dispersion contribution to the proton chemical shift

Claude Giessner-Prettre, Nohad Gresh, Jacques Maddaluno

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 367 KB

english, 1969

10

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

11

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

12

Hydrogen bonding in pure and aqueous formamide

Pullman, A., Berthod, H., Giessner-Prettre, C., Hinton, J. F., Harpool, D.

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 433 KB

english, 1978

13

ChemInform Abstract: HYDROGEN BONDING IN PURE AND AQUEOUS FORMAMIDE

PULLMAN, A., BERTHOD, H., GIESSNER-PRETTRE, C., HINTON, J. F., HARPOOL, D.

Journal:

Chemischer Informationsdienst

Year:

1978

File:

PDF, 107 KB

1978

14

Theoretical study of the electronic properties of biological purines and pyrimidines. II. The effect of configuration mixing

Hélène Berthod, Claude Giessner-Prettre, Alberte Pullman

Journal:

International Journal of Quantum Chemistry

Year:

1967

Language:

english

File:

PDF, 654 KB

english, 1967

15

ChemInform Abstract: ON THE MOLECULAR ELECTROSTATIC POTENTIALS OBTAINED FROM CNDO WAVE FUNCTIONS

GIESSNER-PRETTRE, CLAUDE, PULLMAN, ALBERTE

Journal:

Chemischer Informationsdienst

Year:

1975

File:

PDF, 98 KB

1975

16

Solvent effects on the mixed aggregates of chiral 3-aminopyrrolidine lithium amides and alkyllithiums

Yi Yuan, Stéphanie Desjardins, Anne Harrison-Marchand, Hassan Oulyadi, Catherine Fressigné, Claude Giessner-Prettre, Jacques Maddaluno

Journal:

Year:

2005

Language:

english

File:

PDF, 476 KB

english, 2005

17

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

18

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

19

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

20

ChemInform Abstract: AB INITIO QUANTUM MECHANICAL CALCULATIONS OF THE MAGNETIC SHIELDING CONSTANTS OF THE DIFFERENT NUCLEI OF CYTOSINE

GIESSNER-PRETTRE, C., PULLMAN, B.

Journal:

Chemischer Informationsdienst

Year:

1982

File:

PDF, 88 KB

1982

21

Investigation of the counterpoise contribution to the variation of nuclear magnetic shielding constants with intermolecular interaction

S. Ferchiou, C. Giessner-Prettre

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 374 KB

english, 1983

22

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

23

Ring-current effects in the nmr of nucleic acids: A graphical approach

Claude Giessner-Prettre, Bernard Pullman, Philip N. Borer, Lou-Sing Kan, Paul O. P. Ts'O

Journal:

Year:

1976

Language:

english

File:

PDF, 470 KB

english, 1976

24

On the conformational dependence of the proton chemical shifts in nucleosides and nucleotides. I. Proton shifts in the ribose ring of pyrimidine nucleosides as a function of the torsion angle about the glycosyl bond

Claude Giessner-Prettre, Bernard Pullman

Journal:

Journal of Theoretical Biology

Year:

1977

Language:

english

File:

PDF, 894 KB

english, 1977

25

Ab-initio Quantum Mechanical Calculations of NMR Chemical Shifts in Nucleic Acids Constituents III Chemical Shift Variations due to Base Stacking

Giessner-Prettre, C.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

1986

Language:

english

File:

PDF, 659 KB

english, 1986

26

ChemInform Abstract: EXPERIMENTELLE UND QUANTENCHEMISCHE UNTERSUCHUNGEN DER DIPOLMOMENTE VON CHINOLIN UND INDOL

WEILER-FEILCHENFELD, H., PULLMAN, A., BERTHOD, H., GIESSNER-PRETTRE, C.

Journal:

Chemischer Informationsdienst. Organische Chemie

Year:

1970

File:

PDF, 118 KB

1970

27

ChemInform Abstract: PROTON AND CARBON-13 NUCLEAR MAGNETIC RESONANCE STUDIES ON PURINE

CHENG, D. M., KAN, L. S., TS'O, P. O. P., GIESSNER-PRETTRE, C., PULLMAN, B.

Journal:

Chemischer Informationsdienst

Year:

1980

File:

PDF, 105 KB

1980

28

Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF

Jean-Philip Piquemal, Ben Williams-Hubbard, Natalie Fey, Robert J. Deeth, Nohad Gresh, Claude Giessner-Prettre

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 41 KB

english, 2004

29

On the conformational dependence of the proton chemical shifts in nucleosides and nucleotides. II. Proton shifts in the ribose ring of purine nucleosides as a function of the torsion angle about the glycosyl bond

Claude Giessner-Prettre, Bernard Pullman

Journal:

Journal of Theoretical Biology

Year:

1977

Language:

english

File:

PDF, 599 KB

english, 1977

30

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

31

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

32

Theoretical study of the quenching of the low-lying excited states of lithium and magnesium by methane

Chaquin, P., Papakondylis, A., Giessner-Prettre, C., Sevin, A.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 798 KB

english, 1990

33

ChemInform Abstract: AB INITIO QUANTUM MECHANICAL CALCULATIONS OF THE MAGNETIC SHIELDING CONSTANTS OF THE DIFFERENT NUCLEI OF CYTOSINE

GIESSNER-PRETTRE, C., PULLMAN, B.

Journal:

Chemischer Informationsdienst

Year:

1982

File:

PDF, 88 KB

1982

34

Ab initio theoretical study of 3-aminopyrrolidines lithium amides as chiral ligands for butyllithium

Catherine Fressigné, Aline Corruble, Jean-Yves Valnot, Jacques Maddaluno, Claude Giessner-Prettre

Journal:

Journal of Organometallic Chemistry

Year:

1997

Language:

english

File:

PDF, 1006 KB

english, 1997

35

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

36

Caractéristiques géométriques de la séquence HαCαNH de l'isoquinuclidone-3 examinée dans différents etats physiques influence sur la constante de couplage vicinal J

A. Aubry, C. Giessner-Prettre, M. T. Cung, M. Marraud, J. Neel

Journal:

Year:

1974

File:

PDF, 632 KB

1974

37

A molecular-orbital study of the ortho-benzylic long-range proton-proton coupling constants 4JHH in biological phenethylamines

Claude Giessner-Prettre, Bernard Pullman

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 307 KB

english, 1969

38

Molecular orbital calculations of the proton-proton coupling constants in nucleosides

Claude Giessner-Prettre, Bernard Pullman

Journal:

Journal of Theoretical Biology

Year:

1973

Language:

english

File:

PDF, 956 KB

english, 1973

39

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

40

Theoretical Investigations of the Influence of Pressure on the Selectivity of the Michael Addition of Diphenylmethaneamine to Stereogenic Crotonates

Dumas, F., Fressigné, C., Langlet, J., Giessner-Prettre, C.

Journal:

Journal of Organic Chemistry

Year:

1999

Language:

english

File:

PDF, 99 KB

english, 1999

41

Quantum mechanical calculations of NMR chemical shifts in nucleic acids

Giessner-Prettre, C., Pullman, B.

Journal:

Quarterly Reviews of Biophysics

Year:

1987

Language:

english

File:

PDF, 3.04 MB

english, 1987

42

Non-empirical calculations of the nuclear magnetic resonance spectra of imidazole and hydrated imidazole

F. Ribas Prado, C. Giessner-Prettre, B. Pullman

Journal:

Magnetic Resonance in Chemistry

Year:

1981

Language:

english

File:

PDF, 917 KB

english, 1981

43

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

44

Ab-inito Quantum Mechanical Calculations of NMR Chemical Shifts in Nucleic Acids Constituents II Conformational Dependence of the l H and 13 C Chemical Shifts in the Ribose

Giessner-Prettre, C.

Journal:

Journal of Biomolecular Structure and Dynamics

Year:

1985

Language:

english

File:

PDF, 899 KB

english, 1985

45

Theoretical study of the proton magnetic resonance spectra of 11-cis-retinal in relation to the conformation of the molecule

J. Langlet, C. Giessner-Prettre

Journal:

Journal of Molecular Structure

Year:

1972

Language:

english

File:

PDF, 773 KB

english, 1972

46

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

47

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

48

Principal values and principal directions of magnetic shielding tensors in conjugated molecules. Ab initio quantum mechanical calculations

F Ribas Prado, C Giessner-Prettre

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 1.22 MB

english, 1969

49

Experimental and quantum-chemical studies of the dipole moments of quinoline and indole

H. Weiler-Feilchenfeld, A. Pullman, H. Berthod, C. Giessner-Prettre

Journal:

Journal of Molecular Structure

Year:

1970

Language:

english

File:

PDF, 606 KB

english, 1970

50

Regions of negative values of intermolecular nuclear shielding for protons of purines

C. Giessner-Prettre, B. Pullman

Journal:

Journal of Theoretical Biology

Year:

1970

Language:

english

File:

PDF, 108 KB

english, 1970

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