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1

Synthesis and Reactivity of Copper(I) Complexes based on C3-Symmetric Tripodal HTIM(PR2)3 Ligands

Lloret-Fillol, Julio, Smirnova, Ekaterina S., Acuña-Parés, Ferran, Escudero-Adán, Eduardo C., Jelsch, Christian

Journal:

European Journal of Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 2.82 MB

english, 2018

2

Continuous manufacturing process monitoring of pharmaceutical solid dosage form: A case study

Roggo, Yves, Pauli, Victoria, Jelsch, Morgane, Pellegatti, Laurent, Elbaz, Frantz, Ensslin, Simon, Kleinebudde, Peter, Krumme, Markus

Journal:

Journal of Pharmaceutical and Biomedical Analysis

Year:

2019

Language:

english

File:

PDF, 4.16 MB

english, 2019

3

Deep learning for continuous manufacturing of pharmaceutical solid dosage form

Roggo, Yves, Jelsch, Morgane, Heger, Philipp, Ensslin, Simon, Krumme, Markus

Journal:

European Journal of Pharmaceutics and Biopharmaceutics

Year:

2020

File:

PDF, 1.94 MB

2020

4

Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability

Meyer, Benjamin, Guillot, Benoît, Ruiz-Lopez, Manuel F., Jelsch, Christian, Genoni, Alessandro

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 634 KB

english, 2016

5

Correction to Libraries of Extremely Localized Molecular Orbitals. 2. Comparison with the Pseudoatoms Transferability

Meyer, Benjamin, Guillot, Benoît, Ruiz-Lopez, Manuel F., Jelsch, Christian, Genoni, Alessandro

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 114 KB

english, 2016

6

ChemInform Abstract: The Chiral Switch of Metolachlor. The Development of a Large-Scale Enantioselective Catalytic Process

Hans-Ulrich Blaser, Hans-Peter Buser, Klaus Coers, Reinhard Hanreich, Hans-Peter Jalett, Eric Jelsch, Benoit Pugin, Hans-Dieter Schneider, Felix Spindler, Arthur Wegmann

Journal:

Year:

1999

File:

PDF, 25 KB

1999

7

Carbohydrate-based peptidomimetics targeting neuropilin-1: Synthesis, molecular docking study and in vitro biological activities

Richard, Mylène, Chateau, Alicia, Jelsch, Christian, Didierjean, Claude, Manival, Xavier, Charron, Christophe, Maigret, Bernard, Barberi-Heyob, Muriel, Chapleur, Yves, Boura, Cédric, Pellegrini-Moïse,

Journal:

Bioorganic & Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 1.72 MB

english, 2016

8

Crystal structure, Hirshfeld surface analysis, quantum mechanical study and spectroscopic characterization of the non-centrosymmetric coordination compound bis(4-fluoroaniline)dichloridozincate

Ben Nasr, M., Soudani, S., Lefebvre, F., Jelsch, C., Ben Nasr, C.

Journal:

Journal of Molecular Structure

Year:

2017

Language:

english

File:

PDF, 2.10 MB

english, 2017

9

Synthesis and Reactivity of Copper(I) Complexes Based on C 3 -Symmetric Tripodal HTIM(PR 2 ) 3 Ligands

Smirnova, Ekaterina S., Acuña-Parés, Ferran, Escudero-Adán, Eduardo C., Jelsch, Christian, Lloret-Fillol, Julio

Journal:

European Journal of Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 1.34 MB

english, 2018

10

Front Cover: Synthesis and Reactivity of Copper(I) Complexes Based on C 3 -Symmetric Tripodal HTIM(PR 2 ) 3 Ligands (Eur. J. Inorg. Chem. /2018)

Smirnova, Ekaterina S., Acuña-Parés, Ferran, Escudero-Adán, Eduardo C., Jelsch, Christian, Lloret-Fillol, Julio

Journal:

European Journal of Inorganic Chemistry

Year:

2018

Language:

english

File:

PDF, 2.09 MB

english, 2018

11

SAE Technical Paper Series [SAE International 1968 Automotive Engineering Congress and Exposition - (JAN. 08, 1968)] SAE Technical Paper Series - Tapered Multileaf Springs Lighten a Tandem Suspension

Maxon, Ira, Jelsch, L. J.

Year:

1968

Language:

english

File:

PDF, 7.07 MB

english, 1968

12

Aceclofenac and interactions analysis in the crystal and COX protein active site

Jelsch, Christian, Devi, Rajendran Niranjana, Noll, Bruce C., Guillot, Benoît, Samuel, Israel, Aubert, Emmanuel

Journal:

Journal of Molecular Structure

Year:

2020

Language:

english

File:

PDF, 6.36 MB

english, 2020

13

Packing forces in nine crystal forms of cutinase

Christian Jelsch, Sonia Longhi, Christian Cambillau

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1998

Language:

english

File:

PDF, 792 KB

english, 1998

14

ChemInform Abstract: The Oxidized Form of Nicotinamide Adenine Dinucleotide.

Benoit Guillot, Christian Jelsch, Claude Lecomte

Journal:

Year:

2000

File:

PDF, 28 KB

2000

15

Equilibrium kinetics of lysozyme crystallization under an external electric field

M Taleb, C Didierjean, C Jelsch, J.P Mangeot, A Aubry

Journal:

Journal of Crystal Growth

Year:

2001

Language:

english

File:

PDF, 251 KB

english, 2001

16

Crystallization of proteins under an external electric field

M Taleb, C Didierjean, C Jelsch, J.P Mangeot, B Capelle, A Aubry

Journal:

Journal of Crystal Growth

Year:

1999

Language:

english

File:

PDF, 744 KB

english, 1999

17

Electron density in the peptide bonds of crambin

M.V. Fernández-Serra, J. Junquera, C. Jelsch, C. Lecomte, E. Artacho

Journal:

Solid State Communications

Year:

2000

Language:

english

File:

PDF, 222 KB

english, 2000

18

Crystal structure of Escherichia coli TEM1 β-lactamase at 1.8 Å resolution

Christian Jelsch, Lionel Mourey, Jean-Michel Masson, Jean-Pierre Samama

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1993

Language:

english

File:

PDF, 1.49 MB

english, 1993

19

Frontier example in experimental charge density research: Experimental electrostatics of proteins

C. Lecomte, B. Guillot, C. Jelsch, A. Podjarny

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 698 KB

english, 2005

20

Ultra-high-resolution X-ray structure of proteins

C. Lecomte, B. Guillot, N. Muzet, V. Pichon-Pesme, C. Jelsch

Journal:

Cellular and Molecular Life Sciences

Year:

2004

Language:

english

File:

PDF, 654 KB

english, 2004

21

Charge density research: from inorganic and molecular materials to proteins

Lecomte, Claude, Aubert, Emmanuel, Legrand, Vincent, Porcher, Florence, Pillet, Sébastien, Guillot, Benoît, Jelsch, Christian

Journal:

Zeitschrift für Kristallographie

Year:

2005

Language:

english

File:

PDF, 583 KB

english, 2005

22

β-lactamase TEM1 of E. coli Crystal structure determination at 2.5 Å resolution

C. Jelsch, F. Lenfant, J.M. Masson, J.P. Samama

Journal:

Year:

1992

Language:

english

File:

PDF, 750 KB

english, 1992

23

Crystallization and preliminary crystallographic data on Escherichia coli TEM1 β-lactamase

C. Jelsch, F. Lenfant, J.M. Masson, J.P. Samama

Journal:

Journal of Molecular Biology

Year:

1992

Language:

english

File:

PDF, 409 KB

english, 1992

24

Charge Density Analysis and Topological Properties of Hal 3 -Synthons and Their Comparison with Competing Hydrogen Bonds

Brezgunova, Mariya E., Aubert, Emmanuel, Dahaoui, Slimane, Fertey, Pierre, Lebègue, Sébastien, Jelsch, Christian, Ángyán, János G., Espinosa, Enrique

Journal:

Crystal Growth & Design

Year:

2012

Language:

english

File:

PDF, 864 KB

english, 2012

25

Accurate protein crystallography at ultra-high resolution: Valence electron distribution in crambin

Jelsch, C., Teeter, M. M., Lamzin, V., Pichon-Pesme, V., Blessing, R. H., Lecomte, C.

Journal:

Proceedings of the National Academy of Sciences

Year:

2000

Language:

english

File:

PDF, 856 KB

english, 2000

26

Relationship between Stereochemistry and Charge Density in Hydrogen Bonds with Oxygen Acceptors

Ahmed, M., Jelsch, C., Guillot, B., Lecomte, C., Domagała, S.

Journal:

Crystal Growth & Design

Year:

2013

Language:

english

File:

PDF, 1.33 MB

english, 2013

27

Electrostatic complementarity in an aldose reductase complex from ultra-high-resolution crystallography and first-principles calculations

Muzet, N., Guillot, B., Jelsch, C., Howard, E., Lecomte, C.

Journal:

Proceedings of the National Academy of Sciences

Year:

2003

Language:

english

File:

PDF, 1.07 MB

english, 2003

28

Experimental and database-transferred electron-density analysis and evaluation of electrostatic forces in coumarin-102 dye

Bibila Mayaya Bisseyou, Yvon, Bouhmaida, Nouhza, Guillot, Benoit, Lecomte, Claude, Lugan, Noel, Ghermani, Noureddine, Jelsch, Christian

Journal:

Acta Crystallographica Section B Structural Science

Year:

2012

Language:

english

File:

PDF, 2.04 MB

english, 2012

29

Topological Analysis of Hydrogen Bonds and Weak Interactions in Protein Helices via Transferred Experimental Charge Density Parameters

Liebschner, Dorothee, Jelsch, Christian, Espinosa, Enrique, Lecomte, Claude, Chabrière, Eric, Guillot, Benoît

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.68 MB

english, 2011

30

Experimental and Theoretical Investigation of Topological and Energetic Characteristics of Sb Complexes Reversibly Binding Molecular Oxygen

Fukin, Georgy K., Baranov, Evgenii V., Jelsch, Christian, Guillot, Benoît, Poddel’sky, Andrey I., Cherkasov, Vladimir K., Abakumov, Gleb A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.23 MB

english, 2011

31

Experimental and Theoretical Charge Density Analysis of Polymorphic Structures: The Case of Coumarin 314 Dye

Munshi, Parthapratim, Jelsch, Christian, Hathwar, Venkatesha R., Guru Row, Tayur N.

Journal:

Crystal Growth & Design

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

32

Periodic Projector Augmented Wave Density Functional Calculations on the Hexachlorobenzene Crystal and Comparison with the Experimental Multipolar Charge Density Model

Aubert, Emmanuel, Lebègue, Sébastien, Marsman, Martijn, Bui, Thai Thanh Thu, Jelsch, Christian, Dahaoui, Slimane, Espinosa, Enrique, Ángyán, János G.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 4.85 MB

english, 2011

33

Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

Mikael Elias, Dorothee Liebschner, Jurgen Koepke, Claude Lecomte, Benoit Guillot, Christian Jelsch, Eric Chabriere

Journal:

BMC Research Notes

Year:

2013

Language:

english

File:

PDF, 385 KB

english, 2013

34

Experimental and Theoretical Charge Density Analysis of a Bromoethyl Sulfonium Salt

Ahmed, Maqsood, Yar, Muhammad, Nassour, Ayoub, Guillot, Benoit, Lecomte, Claude, Jelsch, Christian

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 3.05 MB

english, 2013

35

Théorie des équilibres multiples pour les polymères

Bellon, Bernard, Jelsch, Jacques, Delaage, Michel

Journal:

Year:

1973

File:

PDF, 259 KB

1973

36

The organic–inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate

Soudani, Sarra, Aubert, Emmanuel, Jelsch, Christian, Ben Nasr, Cherif

Journal:

Acta Crystallographica Section C Crystal Structure Communications

Year:

2013

Language:

english

File:

PDF, 710 KB

english, 2013

37

Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase

Fournier, Bertrand, Bendeif, El-Eulmi, Guillot, Benoît, Podjarny, Alberto, Lecomte, Claude, Jelsch, Christian

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 3.44 MB

english, 2009

38

Charge Density Analysis of 2-Methyl-4-nitro-1-phenyl-1 H -imidazole-5-carbonitrile: An Experimental and Theoretical Study of C≡N···C≡N Interactions

Paul, Agnieszka, Kubicki, Maciej, Kubas, Adam, Jelsch, Christian, Fink, Karin, Lecomte, Claude

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 5.64 MB

english, 2011

39

Elucidation of the Phosphate Binding Mode of DING Proteins Revealed by Subangstrom X-ray Crystallography

Liebschner, Dorothee, Elias, Mikael, Moniot, Sèbastien, Fournier, Bertrand, Scott, Ken, Jelsch, Christian, Guillot, Benoit, Lecomte, Claude, Chabrière, Eric

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 2.22 MB

english, 2009

40

Experimental and Theoretical Electron Density Studies in Large Molecules: NAD + , β-Nicotinamide Adenine Dinucleotide

Guillot, Benoît, Muzet, Nicolas, Artacho, Emilio, Lecomte, Claude, Jelsch, Christian

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 1.13 MB

english, 2003

41

Correction to Experimental and Theoretical Charge Density Analysis of Polymorphic Structures: The Case of Coumarin 314 Dye

Munshi, Parthapratim, Jelsch, Christian, Hathwar, Venkatesha R., Guru Row, Tayur N.

Journal:

Crystal Growth & Design

Year:

2010

Language:

english

File:

PDF, 554 KB

english, 2010

42

Electron and Electrostatic Properties of Three Crystal Forms of Piracetam

Chambrier, Marie-Hélène, Bouhmaida, Nouzha, Bonhomme, François, Lebègue, Sébastien, Gillet, Jean-Michel, Jelsch, Christian, Ghermani, Nour Eddine

Journal:

Crystal Growth & Design

Year:

2011

Language:

english

File:

PDF, 5.14 MB

english, 2011

43

Experimental Electron Density of 1-Phenyl-4-nitroimidazole and Topological Analysis of C−H···O and C−H···N Hydrogen Bonds

Kubicki, M., Borowiak, T., Dutkiewicz, G., Souhassou, M., Jelsch, C., Lecomte, C.

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 466 KB

english, 2002

44

Bis(2-amino-4-methyl-6-oxo-3,6-dihydropyrimidin-1-ium) sulfate monohydrate

Soudani, Sarra, Wenger, Emmanuel, Jelsch, Christian, Ben Nasr, Cherif

Journal:

Acta Crystallographica Section E Structure Reports Online

Year:

2014

Language:

english

File:

PDF, 473 KB

english, 2014

45

Synthesis and physico-chemical studies of a novel layered structure with a heptanuclear Cd complex: (C9N4H28)Cd7(H2O)2Cl18·nH2O(n=5.89)

Soudani, S., Mi, J.-X., Lefebvre, F., Jelsch, C., Ben Nasr, C.

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 2.55 MB

english, 2015

46

The enrichment ratio of atomic contacts in crystals, an indicator derived from the Hirshfeld surface analysis

Jelsch, Christian, Ejsmont, Krzysztof, Huder, Loïc

Journal:

Year:

2014

Language:

english

File:

PDF, 1.03 MB

english, 2014

47

Cholesterol oxidase: ultrahigh-resolution crystal structure and multipolar atom model-based analysis

Zarychta, Bartosz, Lyubimov, Artem, Ahmed, Maqsood, Munshi, Parthapratim, Guillot, Benoît, Vrielink, Alice, Jelsch, Christian

Journal:

Acta Crystallographica Section D Biological Crystallography

Year:

2015

Language:

english

File:

PDF, 2.28 MB

english, 2015

48

Pseudo-symmetry, rotation- and inversion-twinning of a structure with dinuclear and trinuclear Cd complexes. CP-MAS-NMR and IR spectroscopies characterisation

Soudani, Sarra, Zeller, Matthias, Wenger, Emmanuel, Jelsch, Christian, Lefebvre, Frédéric, Nasr, Cherif Ben

Journal:

Journal of Molecular Structure

Year:

2014

Language:

english

File:

PDF, 454 KB

english, 2014

49

Charge-density analysis using multipolar atom and spherical charge models: 2-methyl-1,3-cyclopentanedione, a compound displaying a resonance-assisted hydrogen bond

Nassour, Ayoub, Kubicki, Maciej, Wright, Jonathan, Borowiak, Teresa, Dutkiewicz, Grzegorz, Lecomte, Claude, Jelsch, Christian

Journal:

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Year:

2014

Language:

english

File:

PDF, 2.20 MB

english, 2014

50

Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS

Schmidt, A., Jelsch, C., Ostergaard, P., Rypniewski, W., Lamzin, V. S.

Journal:

Journal of Biological Chemistry

Year:

2003

Language:

english

File:

PDF, 772 KB

english, 2003

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