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1

First-principles calculations of the nonlinear optical susceptibilities and Raman scattering spectra of lithium niobate

Hermet, P, Veithen, M, Ghosez, Ph

Journal:

Journal of Physics Condensed Matter

Year:

2007

Language:

english

File:

PDF, 327 KB

english, 2007

2

ABINIT: First-principles approach to material and nanosystem properties

X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Côté, T. Deutsch, L. Genovese, Ph. Ghosez, M. Giantomassi, S. Goedecker, D.R. Hamann,

Journal:

Computer Physics Communications

Year:

2009

Language:

english

File:

PDF, 816 KB

english, 2009

3

Synthesis of acyl halides under very mild conditions

Devos, Alain, Remion, Jeanine, Frisque-Hesbain, Anne-Marie, Colens, Alain, Ghosez, L�on

Journal:

Journal of the Chemical Society Chemical Communications

Year:

1979

Language:

english

File:

PDF, 137 KB

english, 1979

4

Scaling hypothesis for corrections to total energy and stress in plane-wave-based ab initio calculations

Rignanese, G.-M., Ghosez, Ph., Charlier, J.-C., Michenaud, J.-P., Gonze, X.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 736 KB

english, 1995

5

Intramolecular [2+2] Cycloadditions of Keteniminium Salts Derived from a- and b-Amino Acids. A Route to Azabicyclic Ketones

Ghosez, Léon, Gobeaux, Benoit

Journal:

Year:

1989

Language:

english

File:

PDF, 85 KB

english, 1989

6

ChemInform Abstract: Oxaziridines and Nitrones as Potential Inhibitors of Bacterial D,D-Peptidases.

MARCHAND-BRYNAERT, J., BOUNKHALA-KHROUZ, Z., VANLIERDE, H., GHOSEZ, L.

Journal:

Year:

1990

File:

PDF, 261 KB

1990

7

ChemInform Abstract: SYNTHESIS OF ACYL HALIDES UNDER VERY MILD CONDITIONS

DEVOS, A., REMION, J., FRISQUE-HESBAIN, A.-M., COLENS, A., GHOSEZ, L.

Journal:

Chemischer Informationsdienst

Year:

1980

File:

PDF, 127 KB

1980

8

First-principles computation of material properties: the ABINIT software project

X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D.C. Allan

Journal:

Computational Materials Science

Year:

2002

Language:

english

File:

PDF, 160 KB

english, 2002

9

A Convergent Strategy for the Asymmetric Synthesis of Enantiomerically Pure Bicyclic Compounds by Using a Silicon-Directed Cycloaddition Reaction: The Synthesis of Enantiomerically Pure Bicyclo[3.2.0]hept-2-en-6-one

Jean-Michel Adam, Léon Ghosez, Kendall N. Houk

Journal:

Angewandte Chemie International Edition

Year:

1999

Language:

english

File:

PDF, 114 KB

english, 1999

10

rutile

Lee, Changyol, Ghosez, Philippe, Gonze, Xavier

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 563 KB

english, 1994

11

Born effective charges of barium titanate: Band-by-band decomposition and sensitivity to structural features

Ghosez, Ph., Gonze, X., Lambin, Ph., Michenaud, J.-P.

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 219 KB

english, 1995

12

ChemInform Abstract: Synthesis and Cycloadditions of 1-[(tert-Butyldimethylsilyl)oxy]alkenyl Isocyanates.

C. DE TOLLENAERE, L. GHOSEZ

Journal:

Year:

1998

File:

PDF, 32 KB

1998

13

Methyl 3-phenylsulfonyl orthopropionate: A new reagent for cyclopentannulation

Stephane De Lombaert, Isabelle Nemery, Bertrand Roekens, Juan Carlos Carretero, Tamar Kimmel, Leon Ghosez

Journal:

Tetrahedron Letters

Year:

1986

Language:

english

File:

PDF, 172 KB

english, 1986

14

First-principles study of the dielectric and dynamical properties of lithium niobate

Veithen, M., Ghosez, Ph.

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 176 KB

english, 2002

15

«Synthesis: Science or Technology?» A Few Comments from an Old-timer

Journal:

Israel Journal of Chemistry

Year:

2018

Language:

english

File:

PDF, 236 KB

english, 2018

16

Correlation between optical constants and crystal chemical parameters of ZrW2O8

Robert D. Shannon, Reinhard X. Fischer, Olaf Medenbach, Eric Bousquet, Philippe Ghosez

Journal:

Journal of Solid State Chemistry

Year:

2009

Language:

english

File:

PDF, 318 KB

english, 2009

17

Strain-Induced Ferroelectricity in Simple Rocksalt Binary Oxides

Bousquet, Eric, Spaldin, Nicola A., Ghosez, Philippe

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 553 KB

english, 2010

18

Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory

Shaltaf, R., Durgun, E., Raty, J.-Y., Ghosez, Ph., Gonze, X.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 160 KB

english, 2008

19

Tailoring the Properties of Artificially Layered Ferroelectric Superlattices

M. Dawber, N. Stucki, C. Lichtensteiger, S. Gariglio, P. Ghosez, J.-M. Triscone

Journal:

Advanced Materials

Year:

2007

Language:

english

File:

PDF, 732 KB

english, 2007

20

ChemInform Abstract: A Rearrangement of O,O-Silylketene Acetals Leading to γ-Thiomethylation of Butenoic Acid Derivatives.

L. JAROSKOVA, M. BOURGAUX, I. WENKIN, L. GHOSEZ

Journal:

Year:

1998

File:

PDF, 33 KB

1998

21

ChemInform Abstract: Cyclopentannulation of Enones with Organocuprate Reagents Containing an Acetal or an Orthoester Function.

Pingyu Ding, Leon Ghosez

Journal:

Year:

2002

File:

PDF, 34 KB

2002

22

An Allylation-Metathesis Sequence as a Convergent Strategy Towards Enantiopure Equivalents of Highly Functionalized Cyclic Dienes.

Laurence de Fays, Jean-Michel Adam, Leon Ghosez

Journal:

Year:

2003

File:

PDF, 243 KB

2003

23

Iron(III) Chloride Catalysis of the Acetal-Ene Reaction.

Arnaud Ladepeche, Eric Tam, Jean-Erick Ancel, Leon Ghosez

Journal:

Year:

2004

File:

PDF, 24 KB

2004

24

Electrophilic amination of 2-azadienes

V. Gouverneur, L. Ghosez

Journal:

Year:

1996

Language:

english

File:

PDF, 726 KB

english, 1996

25

Synthesis with a-Cyanoenamines. 2-Diethylamino 4-Lithio-4-phenylthio-2-butenonitrile as a B-Carboxyl vinyl anion equivalent.

Stephane De Lombaert, Brigitte Lesur, Leon Ghosez

Journal:

Tetrahedron Letters

Year:

1982

Language:

english

File:

PDF, 206 KB

english, 1982

26

Study of chiral auxiliaries for the intramolecular [2+2] cycloaddition of a keteniminium salt to an olefinic double bond. A new asymmetric synthesis of cyclobutanones.

Lian-yong Chen, Léon Ghosez

Journal:

Tetrahedron Letters

Year:

1990

Language:

english

File:

PDF, 218 KB

english, 1990

27

Synthesis of alkyl halides under neutral conditions

François Munyemana, Anne-Marie Frisque-Hesbain, Alain Devos, Léon Ghosez

Journal:

Tetrahedron Letters

Year:

1989

Language:

english

File:

PDF, 224 KB

english, 1989

28

Cyclopentenones as potential inhibitors of penicillin sensitive enzymes

Thierry Durand, Jacqueline Marchand-Brynaert, Léon Ghosez

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1993

Language:

english

File:

PDF, 315 KB

english, 1993

29

First-principles characterization of the four phases of barium titanate

Ghosez, Ph., Gonze, X., Michenaud, J. -P.

Journal:

Year:

1999

Language:

english

File:

PDF, 705 KB

english, 1999

30

Hydrogen-Saturated Silicon Nanowires Heavily Doped with Interstitial and Substitutional Transition Metals

Durgun, E., Bilc, D. I., Ciraci, S., Ghosez, Ph.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.98 MB

english, 2012

31

Distance correlations and dynamics of liquid GeSe: An ab initio molecular dynamics study

Raty, J. Y., Godlevsky, V. V., Gaspard, J. P., Bichara, C., Bionducci, M., Bellissent, R., Céolin, R., Chelikowsky, J. R., Ghosez, Ph.

Journal:

Physical Review B

Year:

2001

Language:

english

File:

PDF, 682 KB

english, 2001

32

Coulomb interaction and ferroelectric instability of BaTiO 3

Ghosez, Ph, Gonze, X, Michenaud, J.-P

Journal:

EPL (Europhysics Letters)

Year:

1996

Language:

english

File:

PDF, 495 KB

english, 1996

33

First-Principles Study of Ferroelectric Oxide Epitaxial Thin Films and Superlattices: Role of the Mechanical and Electrical Boundary Conditions

Junquera, Javier, Ghosez, Philippe

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2008

Language:

english

File:

PDF, 3.36 MB

english, 2008

34

Computational materials science: Predictions of pinning

Paruch, Patrycja, Ghosez, Philippe

Journal:

Year:

2016

Language:

english

File:

PDF, 234 KB

english, 2016

35

Structural analysis of LaVO 3 thin films under epitaxial strain

Meley, H., Karandeep,, Oberson, L., de Bruijckere, J., Alexander, D. T. L., Triscone, J.-M., Ghosez, Ph., Gariglio, S.

Journal:

Year:

2018

Language:

english

File:

PDF, 3.18 MB

english, 2018

36

Mechanisms and Conformational Control of (4+2) and (2+2) Cycloadditions of Dienes to Keteniminium Cations

Ramirez, Melissa, Li, Wenfei, Lam, Yu-hong, Ghosez, Léon, Houk, K. N.

Journal:

Journal of Organic Chemistry

Year:

2020

Language:

english

File:

PDF, 1.54 MB

english, 2020

37

ChemInform Abstract: 2-AMINO-1-AZETINES, A NEW CLASS OF STRAINED AMIDINES

MARCHAND-BRYNAERT, J., MOYA-PORTUGUEZ, M., LESUISSE, D., GHOSEZ, L.

Journal:

Chemischer Informationsdienst

Year:

1980

File:

PDF, 242 KB

1980

38

Diastereoselective β-Hydroxyalkylation and β-Hydroxycarboxylation of Amides by a Diels—Alder Strategy.

Deogratias Ntirampebura, Leon Ghosez

Journal:

Year:

2003

File:

PDF, 240 KB

2003

39

Synthesis of amino acids. Alkylation of aldimine and ketimine derivatives of glycine ethyl ester under various phase-transfer conditions

Léon Ghosez, Jean-Pierre Antoine, Etienne Deffense, Mirtha Navarro, Valery Libert, Martin J. O'Donnell, William A. Bruder, Katherine Willey, Krzysztof Wojciechowski

Journal:

Tetrahedron Letters

Year:

1982

Language:

english

File:

PDF, 195 KB

english, 1982

40

Vicinal alkylation of alkynes. A short route toward Δα,β butenolides, furans and cyclopentenones.

C. Schmit, S. Sahraoui-Taleb, E. Differding, C.G. Dehasse-De Lombaert, L. Ghosez

Journal:

Tetrahedron Letters

Year:

1984

Language:

english

File:

PDF, 176 KB

english, 1984

41

An allylation-metathesis sequence as a convergent strategy towards enantiopure equivalents of highly functionalized cyclic dienes

Laurence de Fays, Jean-Michel Adam, Léon Ghosez

Journal:

Tetrahedron Letters

Year:

2003

Language:

english

File:

PDF, 213 KB

english, 2003

42

Diels-Alder reactions of 2-azadienes. Diastereoselective syntheses of 2-azabicyclo[2.2.2]octan-2-ones and of 2,3,4-substituted cyclohexanones.

M. Rivera, H. Lamy-Schelkens, F. Sainte, K. Mbiya, L. Ghosez

Journal:

Tetrahedron Letters

Year:

1988

Language:

english

File:

PDF, 190 KB

english, 1988

43

Ferroelectricity in PbTiO3Thin Films: A First Principles Approach

K.M. Rabe, P. Ghosez

Journal:

Journal of Electroceramics

Year:

2000

Language:

english

File:

PDF, 74 KB

english, 2000

44

Lattice dynamics of BaTiO3, PbTiO3, and PbZrO3: A comparative first-principles study

Ghosez, Ph., Cockayne, E., Waghmare, U., Rabe, K.

Journal:

Physical Review B

Year:

1999

Language:

english

File:

PDF, 275 KB

english, 1999

45

1-Amino-2-azadienes from the thermolysis of 2-amino-1-azirines. New reagents for the construction of pyridine and dihydropyridine rings

Demoulin, Andre, Gorissen, Hugo, Hesbain-Frisque, Anne M., Ghosez, Leon

Journal:

Journal of the American Chemical Society

Year:

1975

Language:

english

File:

PDF, 240 KB

english, 1975

46

.alpha.,.beta. Dehydrogenation of carboxamides

Da Costa, R., Gillard, M., Falmagne, J. B., Ghosez, L.

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 361 KB

english, 1979

47

Long-wavelength behavior of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems

Ghosez, Ph., Gonze, X., Godby, R. W.

Journal:

Physical Review B

Year:

1997

Language:

english

File:

PDF, 138 KB

english, 1997

48

superlattices

Bousquet, Eric, Junquera, Javier, Ghosez, Philippe

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 553 KB

english, 2010

49

First-principles study of filled and unfilled antimony skutterudites

Ghosez, Philippe, Veithen, Marek

Journal:

Journal of Physics Condensed Matter

Year:

2007

Language:

english

File:

PDF, 574 KB

english, 2007

50

ChemInform Abstract: A Practical Route Towards α,β-Unsaturated δ-Lactones Based on a (3 + 3) Strategy. Synthesis of (-)-Argentilactone.

CARRETERO, J. C., GHOSEZ, L.

Journal:

Year:

1988

File:

PDF, 197 KB

1988

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