Koritsánszky, Tibor: search on Z-Library

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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

Year:

2002

Language:

english

File:

PDF, 222 KB

english, 2002

2

Validation of convolution approximation to the thermal-average electron density

Michael, J. Robert, Koritsanszky, Tibor

Journal:

Journal of Mathematical Chemistry

Year:

2015

Language:

english

File:

PDF, 282 KB

english, 2015

3

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

Year:

1999

Language:

german

File:

PDF, 297 KB

german, 1999

4

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

Year:

2004

Language:

english

File:

PDF, 164 KB

english, 2004

5

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

Year:

2007

Language:

english

File:

PDF, 1.24 MB

english, 2007

6

Atomic density radial functions from molecular densities

Tibor Koritsanszky, Anatoliy Volkov

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 187 KB

english, 2004

7

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

Year:

2000

Language:

english

File:

PDF, 168 KB

english, 2000

8

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

Year:

2017

Language:

english

File:

PDF, 9.20 MB

english, 2017

9

Neuere Ansätze zur experimentellen Ladungsdichtebestimmung von Vitamin B12

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

Journal:

Angewandte Chemie

Year:

2007

File:

PDF, 252 KB

2007

10

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

Year:

1992

Language:

english

File:

PDF, 843 KB

english, 1992

11

Chemical Applications of X-ray Charge-Density Analysis

Koritsanszky, Tibor S., Coppens, Philip

Journal:

Chemical Reviews

Year:

2001

Language:

english

File:

PDF, 1.31 MB

english, 2001

12

Einblick in die elektronische Struktur eines antithrombotischen Wirkstoffs durch hochaufgelöste Röntgenbeugung

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

Journal:

Angewandte Chemie

Year:

2001

Language:

german

File:

PDF, 203 KB

german, 2001

13

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

Year:

2009

Language:

english

File:

PDF, 3.10 MB

english, 2009

14

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

Year:

1994

Language:

english

File:

PDF, 1.13 MB

english, 1994

15

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

Year:

1997

Language:

english

File:

PDF, 656 KB

english, 1997

16

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

Year:

2001

Language:

english

File:

PDF, 226 KB

english, 2001

17

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

Year:

2000

Language:

english

File:

PDF, 461 KB

english, 2000

18

Charge Density Distribution in a Metallaphosphane

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

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 487 KB

english, 2010

19

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

Year:

1999

Language:

english

File:

PDF, 471 KB

english, 1999

20

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

Year:

1999

Language:

english

File:

PDF, 299 KB

english, 1999

21

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

Year:

2004

Language:

english

File:

PDF, 271 KB

english, 2004

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

Year:

2004

Language:

english

File:

PDF, 853 KB

english, 2004

23

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

Year:

2013

Language:

english

File:

PDF, 536 KB

english, 2013

24

A Simple Approach to Nonspherical Electron Densities by Using Invarioms

Birger Dittrich, Tibor Koritsánszky, Peter Luger

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 179 KB

english, 2004

25

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

Year:

1999

Language:

english

File:

PDF, 268 KB

english, 1999

26

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

Year:

2007

Language:

english

File:

PDF, 253 KB

english, 2007

27

Chemical crystallography with pulsed neutrons and synchrotron X-rays

Tibor Koritsánszky, Alajos Kálmán

Journal:

Reaction Kinetics, Mechanisms and Catalysis

Year:

1988

Language:

english

File:

PDF, 183 KB

english, 1988

28

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

Tibor S. Koritsanszky, Philip Coppens

Journal:

Year:

2001

File:

PDF, 25 KB

2001

29

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

Year:

2004

Language:

english

File:

PDF, 151 KB

english, 2004

30

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

Year:

2015

Language:

english

File:

PDF, 1.34 MB

english, 2015

31

Elektronendichteverteilung in einem Metallaphosphan

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

Journal:

Angewandte Chemie

Year:

2010

Language:

german

File:

PDF, 488 KB

german, 2010

32

Ein einfacher Zugang zu asphärischen Elektronendichten mithilfe von Invariomen

Birger Dittrich, Tibor Koritsánszky, Peter Luger

Journal:

Angewandte Chemie

Year:

2004

Language:

german

File:

PDF, 182 KB

german, 2004

33

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

Year:

1995

Language:

english

File:

PDF, 753 KB

english, 1995

34

Protein electrostatics on personal computers

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

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 631 KB

english, 1992

35

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

Year:

2009

Language:

english

File:

PDF, 2.00 MB

english, 2009

36

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

Year:

1985

Language:

english

File:

PDF, 1.18 MB

english, 1985

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