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Chemical Applications of X-ray Charge-Density Analysis

Chemical reviews, 2001-06, Vol.101 (6), p.1583-1628

2001

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Intra- and Intermolecular Topological Properties of Amino Acids: A Comparative Study of Experimental and Theoretical Results

Journal of the American Chemical Society, 2002-04, Vol.124 (13), p.3407-3417

2002

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Topological Analysis of the Experimental Electron Densities of Amino Acids. 1. d,l-Aspartic Acid at 20 K

Journal of the American Chemical Society, 1998-03, Vol.120 (10), p.2227-2238

1998

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Accurate Experimental Electronic Properties of DL-Proline Monohydrate Obtained Within 1 Day

Science (American Association for the Advancement of Science), 1998-01, Vol.279 (5349), p.356-358

1998

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Ab Initio Quality Electrostatic Atomic and Molecular Properties Including Intermolecular Energies from a Transferable Theoretical Pseudoatom Databank

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-05, Vol.108 (19), p.4283-4300

2004

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Topological Analysis of Experimental Electron Densities. 3. Potassium Hydrogen(+)−Tartrate at 15 K

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-02, Vol.104 (7), p.1549-1556

2000

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Combination of the exact potential and multipole methods (EP/MM) for evaluation of intermolecular electrostatic interaction energies with pseudoatom representation of molecular electron densities

Chemical physics letters, 2004-06, Vol.391 (1), p.170-175

2004

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A Simple Approach to Nonspherical Electron Densities by Using Invarioms

Angewandte Chemie International Edition, 2004-05, Vol.43 (20), p.2718-2721

2004

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Structure and charge density studies on 1,1-difluoroallene and tetrafluoroallene

Zeitschrift für Kristallographie. Crystalline materials, 2000-08, Vol.215 (8), p.487-494

2000

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Fast Experiments for Charge-Density Determination: Topological Analysis and Electrostatic Potential of the Amino Acids L-Asn, dl-Glu, dl-Ser, and L-Thr

Angewandte Chemie International Edition, 1999-05, Vol.38 (10), p.1397-1400

1999

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Invarioms for improved absolute structure determination of light-atom crystal structures

Acta crystallographica. Section A, Foundations of crystallography, 2006-05, Vol.62 (3), p.217-223

2006

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The Search for Homoaromatic Semibullvalenes. 6. X-ray Structure and Charge Density Studies of 1,5-Dimethyl-2,4,6,8-semibullvalenetetracarboxylic Dianhydride in the Temperature Range 123−15 K

Journal of organic chemistry, 1999-02, Vol.64 (4), p.1180-1190

1999

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Charge density studies on small organic molecules around 20 K: oxalic acid dihydrate at 15 K and acetamide at 23 K

Acta crystallographica. Section B, Structural science, 1992-12, Vol.48 (6), p.837-848

1992

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Atomic density radial functions from molecular densities

Chemical physics letters, 2004-02, Vol.385 (5), p.431-434

2004

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Topological Analysis of Experimental Electron Densities. 1. The Different C−C Bonds in Bullvalene

Journal of physical chemistry (1952), 1996-06, Vol.100 (25), p.10547-10553

1996

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The low-temperature study of d- and dl-camphoric anhydride

Acta crystallographica. Section C, Crystal structure communications, 2000-03, Vol.56 (3), p.e103-e104

2000

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Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(D, L-Pro)2-(L-Ala)4 monohydrate

Acta crystallographica. Section B, Structural science, 2002-08, Vol.58 (4), p.721-727

2002

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A study of the anomeric effect on an electronic scale: the electron density of 1,4-dioxane and trans-2,5-dichloro-1,4-dioxane

Journal of the American Chemical Society, 1991-11, Vol.113 (24), p.9148-9154

1991

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On the evaluation of energy densities with aspherical pseudoatoms: a model study

Acta crystallographica. Section A, Foundations of crystallography, 2008-08, Vol.64 (a1), p.C116-C117

2008

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Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalism

Acta crystallographica. Section A, Foundations of crystallography, 2002-09, Vol.58 (5), p.464-472

2002

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Response to the paper A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004)

Acta crystallographica. Section A, Foundations of crystallography, 2004-11, Vol.60 (6), p.638-639

2004

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Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(d,l-Pro)-(l-Ala) monohydrate

Acta crystallographica. Section B, Structural science, 2002-08, Vol.58 (4), p.721-727

2002

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Experimental Charge Density Study on an Ionic Crown Ether Complex: [Kc18-Crown-6]+N3-.cntdot.H2O

Journal of the American Chemical Society, 1994-07, Vol.116 (15), p.6748-6756

1994

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Structure and electron density of (2,2,2-trifluoro-1-methylethylidene)sulfur tetrafluoride, F4S:C(CH3)CF3

Journal of the American Chemical Society, 1991-01, Vol.113 (1), p.233-238

1991

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IMAGINE, a quasi-Laue single-crystal neutron diffractometer

Acta crystallographica. Section A, Foundations of crystallography, 2011-08, Vol.67 (a1), p.C254-C254

2011

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Chemical Applications of X-ray Charge-Density Analysis

Intra- and Intermolecular Topological Properties of Amino Acids: A Comparative Study of Experimental and Theoretical Results

Topological Analysis of the Experimental Electron Densities of Amino Acids. 1. d,l-Aspartic Acid at 20 K

Accurate Experimental Electronic Properties of DL-Proline Monohydrate Obtained Within 1 Day

Ab Initio Quality Electrostatic Atomic and Molecular Properties Including Intermolecular Energies from a Transferable Theoretical Pseudoatom Databank

Topological Analysis of Experimental Electron Densities. 3. Potassium Hydrogen(+)−Tartrate at 15 K

Combination of the exact potential and multipole methods (EP/MM) for evaluation of intermolecular electrostatic interaction energies with pseudoatom representation of molecular electron densities

A Simple Approach to Nonspherical Electron Densities by Using Invarioms

Structure and charge density studies on 1,1-difluoroallene and tetrafluoroallene

Fast Experiments for Charge-Density Determination: Topological Analysis and Electrostatic Potential of the Amino Acids L-Asn, dl-Glu, dl-Ser, and L-Thr

Invarioms for improved absolute structure determination of light-atom crystal structures

The Search for Homoaromatic Semibullvalenes. 6. X-ray Structure and Charge Density Studies of 1,5-Dimethyl-2,4,6,8-semibullvalenetetracarboxylic Dianhydride in the Temperature Range 123−15 K

Charge density studies on small organic molecules around 20 K: oxalic acid dihydrate at 15 K and acetamide at 23 K

Atomic density radial functions from molecular densities

Topological Analysis of Experimental Electron Densities. 1. The Different C−C Bonds in Bullvalene

The low-temperature study of d- and dl-camphoric anhydride

Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(D, L-Pro)2-(L-Ala)4 monohydrate

A study of the anomeric effect on an electronic scale: the electron density of 1,4-dioxane and trans-2,5-dichloro-1,4-dioxane

On the evaluation of energy densities with aspherical pseudoatoms: a model study

Aspherical-atom scattering factors from molecular wave functions. 1. Transferability and conformation dependence of atomic electron densities of peptides within the multipole formalism

Response to the paper A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules, by Pichon-Pesme, Jelsch, Guillot & Lecomte (2004)

Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(d,l-Pro)-(l-Ala) monohydrate

Experimental Charge Density Study on an Ionic Crown Ether Complex: [Kc18-Crown-6]+N3-.cntdot.H2O

Structure and electron density of (2,2,2-trifluoro-1-methylethylidene)sulfur tetrafluoride, F4S:C(CH3)CF3

IMAGINE, a quasi-Laue single-crystal neutron diffractometer

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