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1

Structure and Charge Density of a C 60 -Fullerene Derivative Based on a High Resolution Synchrotron Diffraction Experiment at 100 K

Wagner, Armin, Flaig, Ralf, Zobel, Dieter, Dittrich, Birger, Bombicz, Petra, Strümpel, Marianna, Luger, Peter, Koritsanszky, Tibor, Krane, Hans-Georg

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 222 KB

english, 2002

2

Schnelle Experimente zur Ladungsdichtebestimmung: topologische Analyse und elektrostatisches Potential der Aminosäuren L-Asn, DL-Glu, DL-Ser und L-Thr

Ralf Flaig, Tibor Koritsánszky, Jan Janczak, Hans-Georg Krane, Wolfgang Morgenroth, Peter Luger

Journal:

Angewandte Chemie

Année:

1999

Langue:

german

Fichier:

PDF, 297 KB

german, 1999

3

Topological Analysis of the Experimental Electron Density of Diisocyanomethane at 115 K

Tibor Koritsánszky, Jürgen Buschmann, Dieter Lentz, Peter Luger, Genivaldo Perpetuo, Matthias Röttger

Journal:

Chemistry - A European Journal

Année:

1999

Langue:

english

Fichier:

PDF, 268 KB

english, 1999

4

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

Ralf Flaig, Tibor Koritsánszky, Jan Janczak, Hans-Georg Krane, Wolfgang Morgenroth, Peter Luger

Journal:

Angewandte Chemie International Edition

Année:

1999

Langue:

english

Fichier:

PDF, 299 KB

english, 1999

5

Einblick in die elektronische Struktur eines antithrombotischen Wirkstoffs durch hochaufgelöste Röntgenbeugung

Ralf Flaig, Tibor Koritsánszky, Rainer Soyka, Ludger Häming, Peter Luger

Journal:

Angewandte Chemie

Année:

2001

Langue:

german

Fichier:

PDF, 203 KB

german, 2001

6

Topological Properties of the Peptide Bond in Glycyl-L-threonine Dihydrate Based on a Fast Synchrotron/CCD-Diffraction Experiment at 100 K

Birger Dittrich, Ralf Flaig, Tibor Koritsánszky, Hans-Georg Krane, Wolfgang Morgenroth, Peter Luger

Journal:

Chemistry - A European Journal

Année:

2000

Langue:

english

Fichier:

PDF, 461 KB

english, 2000

7

Electronic Insight into an Antithrombotic Agent by High-Resolution X-Ray Crystallography

Ralf Flaig, Tibor Koritsánszky, Rainer Soyka, Ludger Häming, Peter Luger

Journal:

Angewandte Chemie International Edition

Année:

2001

Langue:

english

Fichier:

PDF, 226 KB

english, 2001

8

Ein einfacher Zugang zu asphärischen Elektronendichten mithilfe von Invariomen

Birger Dittrich, Tibor Koritsánszky, Peter Luger

Journal:

Angewandte Chemie

Année:

2004

Langue:

german

Fichier:

PDF, 182 KB

german, 2004

9

Neuere Ansätze zur experimentellen Ladungsdichtebestimmung von Vitamin B12

Birger Dittrich, Tibor Koritsanszky, Anatoliy Volkov, Stefan Mebs, Peter Luger

Journal:

Angewandte Chemie

Année:

2007

Fichier:

PDF, 252 KB

2007

10

Elektronendichteverteilung in einem Metallaphosphan

Julian Henn, Kathrin Meindl, Andreas Oechsner, Gerald Schwab, Tibor Koritsanszky, Dietmar Stalke

Journal:

Angewandte Chemie

Année:

2010

Langue:

german

Fichier:

PDF, 488 KB

german, 2010

11

A Simple Approach to Nonspherical Electron Densities by Using Invarioms

Birger Dittrich, Tibor Koritsánszky, Peter Luger

Journal:

Angewandte Chemie International Edition

Année:

2004

Langue:

english

Fichier:

PDF, 179 KB

english, 2004

12

Novel Approaches to the Experimental Charge Density of Vitamin B12

Birger Dittrich, Tibor Koritsanszky, Anatoliy Volkov, Stefan Mebs, Peter Luger

Journal:

Angewandte Chemie International Edition

Année:

2007

Langue:

english

Fichier:

PDF, 253 KB

english, 2007

13

Charge Density Distribution in a Metallaphosphane

Julian Henn, Kathrin Meindl, Andreas Oechsner, Gerald Schwab, Tibor Koritsanszky, Dietmar Stalke

Journal:

Angewandte Chemie International Edition

Année:

2010

Langue:

english

Fichier:

PDF, 487 KB

english, 2010

14

Charge Density and Experimental Electrostatic Potentials of Two Penicillin Derivatives

Armin Wagner, Ralf Flaig, Birger Dittrich, Horst Schmidt, Tibor Koritsánszky, Peter Luger

Journal:

Chemistry - A European Journal

Année:

2004

Langue:

english

Fichier:

PDF, 164 KB

english, 2004

15

Bond Orders and Atomic Properties of the Highly Deformed Halogenated Fullerenes C60F18 and C60Cl30 Derived from their Charge Densities

Christian B. Hübschle, Stephan Scheins, Manuela Weber, Peter Luger, Armin Wagner, Tibor Koritsánszky, Sergey I. Troyanov, Olga V. Boltalina, Il'ya V. Goldt

Journal:

Chemistry - A European Journal

Année:

2007

Langue:

english

Fichier:

PDF, 1.24 MB

english, 2007

16

ChemInform Abstract: Chemical Applications of X-Ray Charge-Density Analysis

Tibor S. Koritsanszky, Philip Coppens

Journal:

Année:

2001

Fichier:

PDF, 25 KB

2001

17

On the basis-set dependence of local and integrated electron density properties: Application of a new computer program for quantum-chemical density analysis

Anatoliy Volkov, Tibor Koritsanszky, Michal Chodkiewicz, Harry F. King

Journal:

Journal of Computational Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 2.00 MB

english, 2009

18

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

Anatoliy Volkov, Tibor Koritsanszky, Philip Coppens

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 271 KB

english, 2004

19

Atomic density radial functions from molecular densities

Tibor Koritsanszky, Anatoliy Volkov

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 187 KB

english, 2004

20

Chemical crystallography with pulsed neutrons and synchrotron X-rays

Tibor Koritsánszky, Alajos Kálmán

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Année:

1988

Langue:

english

Fichier:

PDF, 183 KB

english, 1988

21

Protein electrostatics on personal computers

György G. Ferenczy, János G. Ángyán, Tibor Koritsánszky, Jenö Nagy, Gábor Náray-Szabó

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1992

Langue:

english

Fichier:

PDF, 631 KB

english, 1992

22

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

Volkov, Anatoliy, Li, Xue, Koritsanszky, Tibor, Coppens, Philip

Journal:

Journal of Physical Chemistry A

Année:

2004

Langue:

english

Fichier:

PDF, 853 KB

english, 2004

23

Experimental Charge Density Studies of Disordered N -Phenylpyrrole and N -(4-Fluorophenyl)pyrrole

Meindl, Kathrin, Henn, Julian, Kocher, Nikolaus, Leusser, Dirk, Zachariasse, Klaas A., Sheldrick, George M., Koritsanszky, Tibor, Stalke, Dietmar

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 3.10 MB

english, 2009

24

Chemical Applications of X-ray Charge-Density Analysis

Koritsanszky, Tibor S., Coppens, Philip

Journal:

Chemical Reviews

Année:

2001

Langue:

english

Fichier:

PDF, 1.31 MB

english, 2001

25

Sulfur compounds. Part 173. Structure and Electron Density of Solid Dimethoxydisulfane, (CH3O)2S2

Koritsanszky, Tibor, Buschmann, Juergen, Luger, Peter, Schmidt, Heinar, Steudel, Ralf

Journal:

Journal of Physical Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 1.13 MB

english, 1994

26

Synthesis of Vinca alkaloids and related compounds. 21. Preparation of (.+-.)-eburnamonine, (.+-.)-3-epieburnamonine, and (.+-.)-C-norquebrachamine from a common intermediate

Kalaus, Gyoergy, Malkieh, Numan, Katona, Ildiko, Kajtar-Peredy, Maria, Koritsanszky, Tibor, Kalman, Alajos, Szabo, Lajos, Szantay, Csaba

Journal:

Journal of Organic Chemistry

Année:

1985

Langue:

english

Fichier:

PDF, 1.18 MB

english, 1985

27

The Weakly Coordinating Trichloromethanesulfonate Anion: NQR Comparison of Its Coordinating Abilities via Oxygen with Those of the Chloroacetate Ions

Wulfsberg, Gary, Cochran, Michael, Wilcox, Jamie, Koritsanszky, Tibor, Jackson, Debra Jones, Howard, James C.

Journal:

Inorganic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 151 KB

english, 2004

28

Perturbation of Degeneracy of the Cope Rearrangement by the Crystal Lattice of the β-Form of 1,5-Dimethylsemibullvalene-2,6-dicarbonitrile As Studied by Variable-Temperature Solid-State Carbon-13 Spectroscopy and X-ray Crystallography at Cryogenic Temperatures

Benesi, Alan, Bertermann, Rüdiger, Förster, Hans, Heubes, Markus, Jackman, Lloyd M., Koritsanszky, Tibor, Luger, Peter, Mayer, Andreas, Quast, Helmut, Seefelder, Maximilian, Zobel, Dieter

Journal:

Journal of the American Chemical Society

Année:

2000

Langue:

english

Fichier:

PDF, 168 KB

english, 2000

29

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

Williams, Richard Vaughan, Gadgil, Vijay R., Luger, Peter, Koritsanszky, Tibor, Weber, Manuela

Journal:

Journal of Organic Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 471 KB

english, 1999

30

Spiro-λ4-sulfanes with O-ligands of different electronegativity in axial positions. A comparison of CH2O–SIV–OCO and CH2O–S+IV · · · OC bond systems

Szabó, Dénes, Kapovits, István, Argay, Gyula, Czugler, Mátyás, Kálmán, Alajos, Koritsánszky, Tibor

Journal:

Journal of the Chemical Society Perkin Transactions 2

Année:

1997

Langue:

english

Fichier:

PDF, 656 KB

english, 1997

31

The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography

Meilleur, Flora, Munshi, Parthapratim, Robertson, Lee, Stoica, Alexandru D., Crow, Lowell, Kovalevsky, Andrey, Koritsanszky, Tibor, Chakoumakos, Bryan C., Blessing, Robert, Myles, Dean A. A.

Journal:

Acta Crystallographica Section D Biological Crystallography

Année:

2013

Langue:

english

Fichier:

PDF, 536 KB

english, 2013

32

Validation of convolution approximation to the thermal-average electron density

Michael, J. Robert, Koritsanszky, Tibor

Journal:

Journal of Mathematical Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 282 KB

english, 2015

33

Computational analysis of thermal-motion effects on the topological properties of the electron density

Michael, J. Robert, Koritsanszky, Tibor

Journal:

Acta Crystallographica Section A Foundations and Advances

Année:

2015

Langue:

english

Fichier:

PDF, 1.34 MB

english, 2015

34

Sulfur compounds. 158. Structure and electron density of solid dimethoxysulfane, (CH3O)2S

Buschmann, Juergen, Luger, Peter, Koritsanszky, Tibor, Schmidt, Heinar, Steudel, Ralf

Journal:

Journal of Physical Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 843 KB

english, 1992

35

Gas-Phase Structure and Vibrational Spectra of Dimethoxydisulfane, (CH3O)2S2

Steudel, Ralf, Schmidt, Heinar, Baumeister, Edgar, Oberhammer, Heinz, Koritsanszky, Tibor

Journal:

Journal of Physical Chemistry

Année:

1995

Langue:

english

Fichier:

PDF, 753 KB

english, 1995

36

On the error in the nucleus-centered multipolar expansion of molecular electron density and its topology: A direct-space computational study

Michael, J. Robert, Koritsanszky, Tibor

Journal:

The Journal of Chemical Physics

Année:

2017

Langue:

english

Fichier:

PDF, 9.20 MB

english, 2017