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1

Frontier Orbitals: A practical manual. By Nguyen Trong Anh.

Patrick Chaquin

Journal:

Year:

2008

Language:

english

File:

PDF, 86 KB

english, 2008

2

Theoretical Study of the Structure and Properties of Polyynes and Monocyano- and Dicyanopolyynes: Predictions for Long Chain Compounds

Scemama, Anthony, Chaquin, Patrick, Gazeau, Marie-Claire, Bénilan, Yves

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 340 KB

english, 2002

3

Semi-empirical calculation of electronic absorption wavelengths of polyynes, monocyano- and dicyanopolyynes. Predictions for long chain compounds and carbon allotrope carbyne

Anthony Scemama, Patrick Chaquin, Marie-Claire Gazeau, Yves Bénilan

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

4

ChemInform Abstract: γ-Lactones upon Double Nucleophilic Additions of Bis(TMS)ketene Acetals to π-Systems and Access to New Cytotoxic Endoperoxide Lactones

Henri Rudler, Eugenia Aldeco-Perez, Andree Parlier, Cecilio Alvarez, Patrick Chaquin, Patrick Herson, Alfredo Toscano, Maria-Teresea Ramirez-Apan

Journal:

Year:

2009

File:

PDF, 17 KB

2009

5

Photochemical three-membered ring cleavage of α-cyclopropyl and α-epoxy ketones: a theoretical study

A. Sevin, P. Chaquin

Journal:

Journal of Photochemistry

Year:

1981

Language:

english

File:

PDF, 73 KB

english, 1981

6

High-Level Expression of Mouse Inducible Nitric Oxide Synthase inEscherichia coliRequires Coexpression with Calmodulin

Chaquin Wu, Jingli Zhang, Husam Abu-Soud, Dipak K. Ghosh, Dennis J. Stuehr

Journal:

Biochemical and Biophysical Research Communications

Year:

1996

Language:

english

File:

PDF, 145 KB

english, 1996

7

Infrared spectrum of 2,2,2-trichloroethanol isolated in gas matrices. Ab initio optimization of conformers and potential energy calculations

V. Moulin, A. Schriver, L. Schriver-Mazzuoli, P. Chaquin

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 396 KB

english, 1996

8

Structure and ring cleavages of the phosphirane cation: a theoretical ab initio SCF-CI study

Chaquin, Patrick, Gherbi, Amel

Journal:

Journal of Organic Chemistry

Year:

1993

Language:

english

File:

PDF, 944 KB

english, 1993

9

Structure and Bonding in a Series of Neutral and Cationic Transition Metal−Benzene η 6 Complexes [M(η 6 -C 6 H 6 )] n + (M = Ti, V, Cr, Fe, Co, Ni, and Cu). Correlation of Charge Transfer with the Bathochromic Shift of the E 1 Ring Vibration

Chaquin, Patrick, Costa, Dominique, Lepetit, Christine, Che, Michel

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 97 KB

english, 2001

10

ChemInform Abstract: PHOTOCHEMIE IN LOESUNG, REAKTIVITAET UN D PHOTOLYSEPRODUKTE VON 2-ACETYL-2,5,6-TRIMETHYL-2,3-DIHYDRO-4H-PYRAN

CHAQUIN, PATRICK, FURTH, BERNARD, KOSSANYI, JEAN

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 129 KB

1974

11

Diels–Alder Reactions of Symmetrically 1,4-Disubstituted Dienes: Theoretical Study on the Influence of the Configuration of the Double Bonds on the Regio- and Endoselectivity

Samira Baki, Jacques Maddaluno, Aïcha Derdour, Patrick Chaquin

Journal:

European Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 707 KB

english, 2008

12

Theoretical study of the formation of oxide-supported metal particles: strength of the chemical glue as represented by transition metal ions at the metal-oxide interface

Che, M., Masure, D., Chaquin, P.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 771 KB

english, 1993

13

Infrared Spectra of Matrix-Isolated [OC···X 2 ] and [CO···X 2 ] Complexes (X = Cl, Br) and ab Initio Calculations

Schriver, A., Schriver-Mazzuoli, L., Chaquin, P., Bahou, M.

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 99 KB

english, 1999

14

Reactions of O(1D) oxygen atom with 1,1,1-trichloroethane in solid argon

M.V. Pettersen, L. Schriver-Mazzuoli, A. Schriver, P. Chaquin, E. Lasson

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 881 KB

english, 1996

15

Communication: The formation of CHe 2+ by radiative association

Zicler, E., Bacchus-Montabonel, M.-C., Pauzat, F., Chaquin, P., Ellinger, Y.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 396 KB

english, 2016

16

Straightforward access to tetrahydropyridine and piperidine-fused fluorolactones from pyridines and bis(trimethylsilyl)ketene acetals

Henri Rudler, Andrée Parlier, Louis Hamon, Patrick Herson, Patrick Chaquin, Jean-Claude Daran

Journal:

Year:

2009

Language:

english

File:

PDF, 739 KB

english, 2009

17

Polyoxometallates as models for oxide catalysts: Part I. An UV-visible reflectance study of polyoxomolybdates: Influence of polyhedra arrangement on the electronic transitions and comparison with supported molybdenum catalysts

Michel Fournier, Catherine Louis, Michel Che, Patrick Chaquin, Daniel Masure

Journal:

Journal of Catalysis

Year:

1989

Language:

english

File:

PDF, 1.06 MB

english, 1989

18

Ground- and excited (3s13p1)-state reactivity of magnesium with hydrogen fluoride: a theoretical ab initio SCF-CI study

Chaquin, Patrick.

Journal:

Journal of Physical Chemistry

Year:

1987

Language:

english

File:

PDF, 464 KB

english, 1987

19

Mieczyslawa Sekrecka, Louis-Claude de Saint-Martin, le Philosophe Inconnu, Wroclaw Acta Universitatis Wratislaviensis no 65, « Romanica Wratislaviensia » II, 1968, 224 p.

Becq, Annie, Chaquin, Nicole

Journal:

Études littéraires

Year:

1971

Language:

french

File:

PDF, 478 KB

french, 1971

20

Lactones from lactones: regio and diastereoselective double dinucleophilic additions of bis(OTMS) ketene acetals to pyridines

Yiming Xu, Henri Rudler, Bernard Denise, Andrée Parlier, Patrick Chaquin, Patrick Herson

Journal:

Tetrahedron Letters

Year:

2006

Language:

english

File:

PDF, 141 KB

english, 2006

21

Diels–Alder reaction: A theoretical comprehensive study of substituent effects using the ‘H* method’

Elise Dumont, Patrick Chaquin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 188 KB

english, 2006

22

Theoretical study of one-electron bonds in a series of high-spin lithium–beryllium–hydrogen clusters: “Valence shell single-electron repulsion” rule and electron localization function analysis

Patrick Chaquin, Hilaire Chevreau

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 194 KB

english, 2007

23

Polyoxometallates as models for oxide catalysts: Part II. Theoretical semi-empirical approach to the influence of the inner and outer Mo coordination spheres on the electronic levels of polyoxomolybdates

Daniel Masure, Patrick Chaquin, Catherine Louis, Michel Che, Michel Fournier

Journal:

Journal of Catalysis

Year:

1989

Language:

english

File:

PDF, 805 KB

english, 1989

24

A theoretical study of singlet and triplet phosphinidenes PAX3 (A = C, Si; X = H, F) and their rearrangement to phosphaethenes XPAX2

Patrick Chaquin, Amel Gherbi, Daniel Masure, Alain Sevin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 574 KB

english, 1996

25

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

26

Bonding/antibonding character of “lone pair” molecular orbitals from their energy derivatives; consequences for experimental data

Chaquin, Patrick, Fuster, Franck, Volatron, François

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 1.06 MB

english, 2018

27

ChemInform Abstract: PHOTOCHEMISTRY IN SOLUTION. PHOTOREACTIVITY OF 2,3-DIHYDRO-4H-PYRAN DERIVATIVES

CHAQUIN, P., FURTH, B., KOSSANYI, J.

Journal:

Chemischer Informationsdienst

Year:

1979

File:

PDF, 143 KB

1979

28

Une nouvelle voie d'acces au squelette de l'azulene.

P. Jost, P. Chaquin, J. Kossanyi

Journal:

Tetrahedron Letters

Year:

1980

File:

PDF, 129 KB

1980

29

Analysis of Reaction Processes based on the Evolution of dynamic Orbital Forces (DOF);Examples of Cycloadditions, SN2 Substitution, nucleophilic Addition and Hydrogen Transposition

Chaquin, Patrick, Fuster, Franck

Journal:

Year:

2017

Language:

english

File:

PDF, 1.93 MB

english, 2017

30

ChemInform Abstract: PHOTOREACTIVITY IN SOLUTION. PART 18. INTRAMOLECULAR PHOTOADDITION OF THE EXCITED CARBONYL GROUP OF CYCLOALKANONES TO A NONCONJUGATED ETHYLENIC DOUBLE BOND

KOSSANYI, J., JOST, P., FURTH, B., DACCORD, G., CHAQUIN, P.

Journal:

Chemischer Informationsdienst

Year:

1981

File:

PDF, 195 KB

1981

31

Ligand effects on coordination properties of organolithium compounds: insights from computational experiments on a âweakenedâ Li+

GÃ©rard, HÃ©lÃ¨ne, Chaquin, Patrick, Maddaluno, Jacques

Journal:

Journal of Molecular Modeling

Year:

2020

File:

PDF, 771 KB

2020

32

Photochemistry in solution-XX : Triplet reactivity of aliphatic aldehydes

J. Kossanyi, S. Sabbah, P. Chaquin, J.C. Ronfart-Haret

Journal:

Year:

1981

Language:

english

File:

PDF, 907 KB

english, 1981

33

Comparison of the activation of small covalent molecules by transition dimetals and monometals: A theoretical semi-empirical study

P. Chaquin, A. Sevin, H.T. Yu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 686 KB

english, 1985

34

Bromation régiosélective en série aromatique. II. Approche théorique du mécanisme de la substitution électrophile par l'ion tribromure Br 3−

Berthelot, Jacques, Guette, Catherine, Desbène, Paul-Louis, Basselier, Jean-Jacques, Chaquin, Patrick, Masure, Daniel

Journal:

Canadian Journal of Chemistry

Year:

1990

File:

PDF, 449 KB

1990

35

Potential energy surfaces of Mg+N2 and quenching of the 3P and 1P states of Mg. A theoretical ab initio SCF CI study

Patrick Chaquin, Alain Sevin

Journal:

Chemical Physics

Year:

1988

Language:

english

File:

PDF, 565 KB

english, 1988

36

Etude theorique des ruptures thermique et photochimique de la cyclopropanone

Alain Sevin, Evelyne Fazilleau, Patrick Chaquin

Journal:

Year:

1981

File:

PDF, 669 KB

1981

37

Photochemistry in solution. Photoreactivity of 2,3-dihydro-4H-pyran derivatives

Patrick Chaquin, Bernard Furth, Jean Kossanyi

Journal:

Recueil des Travaux Chimiques des Pays-Bas

Year:

1979

Language:

english

File:

PDF, 751 KB

english, 1979

38

Bridged versus classical structures in boron-substituted phosphinidenes. A theoretical study of singlet and triplet low energy species

Alain Sevin, Amel Gherbi, Patrick Chaquin

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 492 KB

english, 1994

39

FTIR and ab Initio Study of the 1/1 Complex between Water and Carbon Dioxide in Solid Nitrogen

Schriver, A., Schriver-Mazzuoli, L., Chaquin, P., Dumont, E.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 134 KB

english, 2006

40

ChemInform Abstract: Quenching of Li* by N2: A Dual Theoretical MO-CI and VB Investigation of the Role of Ionic and Covalent Surfaces.

SEVIN, A., CHAQUIN, P., HAMON, L., HIBERTY, P. C.

Journal:

Year:

1988

File:

PDF, 90 KB

1988

41

Deformation forces in promolecules revisited: Binding of homonuclear diatomic molecules and calculation of stretching vibrational frequencies in diatomic and larger systems

Chaquin, Patrick, Reinhardt, Peter

Journal:

Computational and Theoretical Chemistry

Year:

2016

Language:

english

File:

PDF, 1.02 MB

english, 2016

42

Analysis of carbon‐carbon bonding in small hydrocarbons and dicarbon using dynamic orbital forces: Bond energies and sigma/pi partition. Comparison with sila compounds

Fuster, Franck, Chaquin, Patrick

Journal:

International Journal of Quantum Chemistry

Year:

2019

Language:

english

File:

PDF, 2.03 MB

english, 2019

43

The H∗ method: hydrogen atoms with a fictitious nuclear charge. A versatile theoretical tool for study of atom and group properties as substituents: electronegativity and partition of σ and π contributions

Elise Dumont, Patrick Chaquin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 331 KB

english, 2004

44

IR and UV spectroscopic data for polyynes: Predictions for long carbon chain compounds in Titan's atmosphere

V. Vuitton, A. Scemama, M.-C. Gazeau, P. Chaquin, Y. Bénilan

Journal:

Advances in Space Research

Year:

2001

Language:

english

File:

PDF, 491 KB

english, 2001

45

Comparison of the activation of small covalent molecules by transition dimetals and monometals: a theoretical semi-empirical study

P. Chaquin, A. Sevin, H.T. Yu

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1985

Language:

english

File:

PDF, 740 KB

english, 1985

46

ChemInform Abstract: PHOTOCHEMISTRY IN SOLUTION. PART XVII. PHOTOCHEMICAL REACTIVITY OF 1,2-DIACYLCYCLOBUTANES. A CASE OF CLEAVAGE β TO THE CARBONYL

CHAQUIN, P., KOSSANYI, J.

Journal:

Chemischer Informationsdienst

Year:

1980

File:

PDF, 184 KB

1980

47

Addition Reactions of 1 D and 3 P Atomic Oxygen with Acetylene. Potential Energy Surfaces and Stability of the Primary Products. Is Oxirene Only a Triplet Molecule? A Theoretical Study

Girard, Yvan, Chaquin, Patrick

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 203 KB

english, 2003

48

Inverse Electron Demand Diels−Alder Reactions: Cycloaddition of Enol Ethers and Enamines with 4-Substituted 6-Nitrobenzofuroxans and a Nitroethylene Model. An ab Initio and Semiempirical Theoretical Study

Pugnaud, Sylvie, Masure, Daniel, Hallé, Jean-Claude, Chaquin, Patrick

Journal:

Journal of Organic Chemistry

Year:

1997

Language:

english

File:

PDF, 314 KB

english, 1997

49

Beware of hidden trains: simultaneous discovery of a MYH9 -related disease and chronic lymphocytic leukaemia

Chaquin, Michaël, Marzac, Christophe, Legrand, Ollivier, Favier, Rémi

Journal:

British Journal of Haematology

Year:

2014

Language:

english

File:

PDF, 99 KB

english, 2014

50

ChemInform Abstract: PHOTOCHEMISTRY IN SOLUTION. PART XVII. A NEW APPROACH TO THE AZULENE SKELETON

JOST, P., CHAQUIN, P., KOSSANYI, J.

Journal:

Chemischer Informationsdienst

Year:

1980

File:

PDF, 117 KB

1980

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