| Year |
Citation |
Score |
| 2017 |
Michael JR, Koritsanszky T. On the error in the nucleus-centered multipolar expansion of molecular electron density and its topology: A direct-space computational study. The Journal of Chemical Physics. 146: 204105. PMID 28571389 DOI: 10.1063/1.4983633 |
0.539 |
|
| 2016 |
Borrmann H, Wedel M, Akselrud L, Kohout M, Chen Y, Koritsanszky T, Grin Y. Charge density and disorder in Al2Ru Acta Crystallographica Section a Foundations and Advances. 72: s309-s309. DOI: 10.1107/S2053273316095358 |
0.345 |
|
| 2015 |
Michael JR, Koritsanszky T. Computational analysis of thermal-motion effects on the topological properties of the electron density. Acta Crystallographica. Section a, Foundations and Advances. 71: 225-34. PMID 25727872 DOI: 10.1107/S2053273315001199 |
0.53 |
|
| 2015 |
Michael JR, Koritsanszky T. Computational analysis of thermal-motion effects on the topological properties of the electron density Acta Crystallographica Section a: Foundations and Advances. 71: 225-234. DOI: 10.1107/S2053273315001199 |
0.421 |
|
| 2014 |
Michael JR, Koritsanszky T. Validation of convolution approximation to the thermal-average electron density Journal of Mathematical Chemistry. 53: 250-259. DOI: 10.1007/S10910-014-0425-Y |
0.516 |
|
| 2012 |
Gillet JM, Koritsanszky T. Past, present and future of charge density and density matrix refinements Modern Charge-Density Analysis. 181-211. DOI: 10.1007/978-90-481-3836-4_5 |
0.307 |
|
| 2010 |
Henn J, Meindl K, Oechsner A, Schwab G, Koritsanszky T, Stalke D. Charge density distribution in a metallaphosphane. Angewandte Chemie (International Ed. in English). 49: 2422-6. PMID 20209541 DOI: 10.1002/Anie.200905470 |
0.373 |
|
| 2009 |
Meindl K, Henn J, Kocher N, Leusser D, Zachariasse KA, Sheldrick GM, Koritsanszky T, Stalke D. Experimental charge density studies of disordered N-phenylpyrrole and N-(4-fluorophenyl)pyrrole. The Journal of Physical Chemistry. A. 113: 9684-91. PMID 19673504 DOI: 10.1021/Jp9026157 |
0.467 |
|
| 2009 |
Volkov A, Koritsanszky T, Chodkiewicz M, King HF. On the basis-set dependence of local and integrated electron density properties: Application of a new computer program for quantum-chemical density analysis. Journal of Computational Chemistry. 30: 1379-91. PMID 19031414 DOI: 10.1002/Jcc.21160 |
0.419 |
|
| 2007 |
Dittrich B, Koritsanszky T, Volkov A, Mebs S, Luger P. Novel approaches to the experimental charge density of vitamin B12. Angewandte Chemie (International Ed. in English). 46: 2935-8. PMID 17342782 DOI: 10.1002/Anie.200603901 |
0.34 |
|
| 2007 |
Hübschle CB, Scheins S, Weber M, Luger P, Wagner A, Koritsánszky T, Troyanov SI, Boltalina OV, Goldt IV. Bond orders and atomic properties of the highly deformed halogenated fullerenes C60F18 and C60Cl30 derived from their charge densities. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 1910-20. PMID 17225233 DOI: 10.1002/Chem.200601616 |
0.411 |
|
| 2006 |
Dittrich B, Strumpel M, Schafer M, Spackman M, Koritsanszky T. Invarioms for improved absolute structure determination of light-atom crystal structures. Acta Crystallographica Section A. 62: 217-223. PMID 16614494 DOI: 10.1107/S0108767306010336 |
0.339 |
|
| 2006 |
Koritsanszky TS. Topology of X-ray charge density of hydrogen bonds Hydrogen Bonding - New Insights. 441-470. DOI: 10.1007/978-1-4020-4853-1_12 |
0.309 |
|
| 2005 |
Koritsanszky T, Dittrich B, Nebs S, Luger P. Experimental charge density study on vitamin B12 Acta Crystallographica Section A. 61: 419-419. DOI: 10.1107/S0108767305082346 |
0.349 |
|
| 2004 |
Dittrich B, Koritsánszky T, Luger P. A simple approach to nonspherical electron densities by using invarioms. Angewandte Chemie (International Ed. in English). 43: 2718-21. PMID 18629999 DOI: 10.1002/Anie.200353596 |
0.366 |
|
| 2004 |
Volkov A, Koritsanszky T, Li X, Coppens P. 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. 60: 638-9. PMID 15507748 DOI: 10.1107/S0108767304016496 |
0.379 |
|
| 2004 |
Wagner A, Flaig R, Dittrich B, Schmidt H, Koritsánszky T, Luger P. Charge density and experimental electrostatic potentials of two penicillin derivatives. Chemistry (Weinheim An Der Bergstrasse, Germany). 10: 2977-82. PMID 15214080 DOI: 10.1002/Chem.200305627 |
0.408 |
|
| 2004 |
Volkov A, Li X, Koritsanszky T, Coppens P. Ab initio quality electrostatic atomic and molecular properties including intermolecular energies from a transferable theoretical pseudoatom databank Journal of Physical Chemistry A. 108: 4283-4300. DOI: 10.1021/Jp0379796 |
0.46 |
|
| 2004 |
Volkov A, Koritsanszky T, Coppens P. 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. 391: 170-175. DOI: 10.1016/J.Cplett.2004.04.097 |
0.387 |
|
| 2004 |
Koritsanszky T, Volkov A. Atomic density radial functions from molecular densities Chemical Physics Letters. 385: 431-434. DOI: 10.1016/J.Cplett.2004.01.005 |
0.429 |
|
| 2002 |
Koritsanszky T, Volkov A, Coppens P. 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. 58: 464-72. PMID 12192120 DOI: 10.1107/S0108767302010991 |
0.433 |
|
| 2002 |
Dittrich B, Koritsánszky T, Grosche M, Scherer W, Flaig R, Wagner A, Krane HG, Kessler H, Riemer C, Schreurs AMM, Luger P. 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. 58: 721-727. PMID 12149563 DOI: 10.1107/S0108768102005839 |
0.46 |
|
| 2002 |
Flaig R, Koritsanszky T, Dittrich B, Wagner A, Luger P. Intra- and intermolecular topological properties of amino acids: A comparative study of experimental and theoretical results Journal of the American Chemical Society. 124: 3407-3417. PMID 11916427 DOI: 10.1021/Ja011492Y |
0.454 |
|
| 2002 |
Wagner A, Flaig R, Zobel D, Dittrich B, Krane HG, Koritsanszky T, Luger P. Charge density of a fullerene derivative based on a high resolution synchrotron radiation experiment Acta Crystallographica Section A. 58: 352-352. DOI: 10.1107/S0108767302099075 |
0.363 |
|
| 2002 |
Wagner A, Flaig R, Zobel D, Dittrich B, Bombicz P, Strümpel M, Luger P, Koritsanszky T, Krane HG. Structure and charge density of a C60-fullerene derivative based on a high resolution synchrotron diffraction experiment at 100 K Journal of Physical Chemistry A. 106: 6581-6590. DOI: 10.1021/Jp0145199 |
0.419 |
|
| 2001 |
Flaig R, Koritsánszky T, Soyka R, Häming L, Luger P. Electronic Insight into an Antithrombotic Agent by High-Resolution X-Ray Crystallography This work was funded by the Bundesministerium für Bildung, Wissenschaft, Forschung und Technologie (BMBF), Bonn (Germany) (grant no. 05 SM8KEA0) and by the Fonds der Chemischen Industrie, Frankfurt (Germany). Angewandte Chemie (International Ed. in English). 40: 355-359. PMID 11180323 DOI: 10.1002/1521-3773(20010119)40:2<355::Aid-Anie355>3.0.Co;2-R |
0.387 |
|
| 2000 |
Dittrich B, Flaig R, Koritsánszky T, Krane H, Morgenroth W, Luger P. Topological properties of the peptide bond in glycyl-L-threonine dihydrate based on a fast synchrotron/CCD-diffraction experiment at 100 K. Chemistry: a European Journal. 6: 2582-2589. PMID 10961403 DOI: 10.1002/1521-3765(20000717)6:14<2582::Aid-Chem2582>3.0.Co;2-N |
0.447 |
|
| 2000 |
Buschmann J, Koritsanszky T, Lentz D, Luger P, Nickelt N, Willemsen S. Structure and charge density studies on 1,1-difluoroallene and tetrafluoroallene Zeitschrift Fur Kristallographie. 215: 487-494. DOI: 10.1524/Zkri.2000.215.8.487 |
0.407 |
|
| 2000 |
Flaig R, Koritsanszky T, Luger P. High-resolution charge density studies of the amino acids DL-lysine.HCl, DL-serine and DL-valine Acta Crystallographica Section A. 56: 183-183. DOI: 10.1107/S0108767300024119 |
0.356 |
|
| 2000 |
Koritsanszky T, Zobel D, Luger P. Topological Analysis of Experimental Electron Densities. 3. Potassium Hydrogen(+)-Tartrate at 15 K Journal of Physical Chemistry A. 104: 1549-1556. DOI: 10.1021/Jp991418Q |
0.474 |
|
| 1999 |
Williams RV, Gadgil VR, Luger P, Koritsanszky T, Weber M. 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. 64: 1180-1190. DOI: 10.1021/jo981703q |
0.344 |
|
| 1999 |
Flaig R, Koritsanszky T, Janczak J, Krane HG, Morgenroth W, Luger P. 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. 38: 1397-1400. DOI: 10.1002/(Sici)1521-3773(19990517)38:10<1397::Aid-Anie1397>3.0.Co;2-U |
0.379 |
|
| 1999 |
Koritsánszky T, Buschmann J, Lentz D, Luger P, Perpetuo G, Röttger M. Topological Analysis of the Experimental Electron Density of Diisocyanomethane at 115 K Chemistry - a European Journal. 5: 3413-3420. DOI: 10.1002/(Sici)1521-3765(19991105)5:11<3413::Aid-Chem3413>3.0.Co;2-3 |
0.437 |
|
| 1998 |
Koritsánszky T, Flaig R, Zobel D, Krane H-, Morgenroth W, Luger P. Accurate Experimental Electronic Properties of DL-Proline Monohydrate Obtained Within 1 Day Science. 279: 356-358. PMID 9430581 DOI: 10.1126/Science.279.5349.356 |
0.424 |
|
| 1998 |
Flaig R, Koritsanszky T, Zobel D, Luger P. Topological analysis of the experimental electron densities of amino acids. 1. D,L-Aspartic acid at 20 K Journal of the American Chemical Society. 120: 2227-2238. DOI: 10.1021/Ja972620E |
0.479 |
|
| 1997 |
Fuhrmann P, Koritsánszky T, Luger P. Experimental electron density study of 1,2,4-triazole at 15 K. A comparison with ab initio-calculations Zeitschrift FüR Kristallographie - Crystalline Materials. 212. DOI: 10.1524/zkri.1997.212.3.213 |
0.328 |
|
| 1997 |
Szabó D, Kapovits I, Argay G, Czugler M, Kálmán A, Koritsánszky T. Spiro-λ4-sulfanes with O-ligands of differentelectronegativity in axial positions. A comparison ofCH2O–SIV–OCO andCH2O–S+IV · · · OC bond systems Journal of the Chemical Society-Perkin Transactions 1. 1045-1054. DOI: 10.1039/A604157D |
0.35 |
|
| 1996 |
Buschmann J, Koritsánszky T, Ramm M, Luger P. Experimental charge density ofDL-serine andL-serine Acta Crystallographica Section a Foundations of Crystallography. 52: C346-C346. DOI: 10.1107/S0108767396085662 |
0.397 |
|
| 1996 |
Koritsanszky T. Applications of XD in charge-density research Acta Crystallographica Section A. 52: 350-350. DOI: 10.1107/S0108767396085534 |
0.354 |
|
| 1996 |
Flaig R, Koritsánszky T, Luger P, Zobel D. The charge density of dl-aspartic acid Acta Crystallographica Section A. 52: 352-352. DOI: 10.1107/S0108767396085443 |
0.368 |
|
| 1996 |
Perpetuo GJ, Koritsanszky T, Preugschat D, Lentz D, Luger P. Topological properties of electron density of pentafluorosulfanyl derivatives Acta Crystallographica Section a Foundations of Crystallography. 52: C354-C354. DOI: 10.1107/S0108767396085376 |
0.391 |
|
| 1996 |
Koritsanszky T, Buschmann J, Luger P. Topological analysis of experimental electron densities. 1. The different C-C bonds in bullvalene Journal of Physical Chemistry. 100: 10547-10553. DOI: 10.1021/Jp952466N |
0.477 |
|
| 1996 |
Rábai J, Kapovits I, Jalsovszky I, Argay G, Fülöp V, Kálmán A, Koritsánszky T. Molecular structures of cyclic sulfilimines without and with intramolecular sulfur-oxygen interaction: an X-ray study Journal of Molecular Structure. 382: 13-21. DOI: 10.1016/0022-2860(96)09248-4 |
0.36 |
|
| 1995 |
Rábai J, Kapovits I, Argay G, Koritsánszky T, Kálmán A. Diaryl(acyloxy)sulfonylaminospiro-λ4-sulfanes. Synthesis, molecular structure and rearrangement Journal of the Chemical Society, Chemical Communications. 1069-1070. DOI: 10.1039/C39950001069 |
0.305 |
|
| 1994 |
Koritsanszky T, Buschmann J, Luger P, Knoechel A, Patz M. Experimental Charge Density Study on an Ionic Crown Ether Complex: [Kc18-Crown-6]+N3-.cntdot.H2O Journal of the American Chemical Society. 116: 6748-6756. DOI: 10.1021/Ja00094A034 |
0.363 |
|
| 1994 |
Koritsanszky T, Buschmann J, Luger P, Schmidt H, Steudel R. Sulfur compounds. Part 173. Structure and Electron Density of Solid Dimethoxydisulfane, (CH3O)2S2 The Journal of Physical Chemistry. 96: 5416-5421. DOI: 10.1021/J100072A005 |
0.372 |
|
| 1994 |
Koritsanszky T, Buschmann J, Luger P, Schmidt H, Steudel R. Structure and electron density of solid dimethoxydisulfane, (CH3O)2S2 Journal of Physical Chemistry. 98: 5416-5421. |
0.307 |
|
| 1994 |
Koritsanszky T, Buschmann J, Luger P, Knöchel A, Patz M. Experimental charge density study on an ionic crown ether complex: [Kc18-Crown-6]+N3-.H2O Journal of the American Chemical Society. 116: 6748-6756. |
0.365 |
|
| 1993 |
Knöchel A, Haarich A, Luger P, Koritsanszky T, Buschmann J, Zobel D. Electron density studies on complexes of 18-crown-6 Pure and Applied Chemistry. 65: 503-509. DOI: 10.1351/Pac199365030503 |
0.364 |
|
| 1993 |
Kapovits I, Rábai J, Szabó D, Czakó K, Kucsman Á, Argay G, Fülöp V, Kálmán A, Koritsánszky T, Párkányi L. Diaryldiacyloxyspirosulfuranes. Part 3. Sulfuranes with five-, six- and seven-membered spirorings: syntheses and molecular structures Journal of the Chemical Society-Perkin Transactions 1. 847-853. DOI: 10.1039/P29930000847 |
0.363 |
|
| 1992 |
Zobel D, Luger P, Dreissig W, Koritsanszky T. 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. 48: 837-848. DOI: 10.1107/S0108768192005433 |
0.305 |
|
| 1992 |
Buschmann J, Luger P, Koritsanszky T, Schmidt H, Steudel R. Sulfur compounds. 158. Structure and electron density of solid dimethoxysulfane, (CH3O)2S The Journal of Physical Chemistry. 96: 9243-9250. DOI: 10.1021/J100202A033 |
0.371 |
|
| 1992 |
Ferenczy GG, Ángyán JG, Koritsánszky T, Nagy J, Náray-Szabó G. Protein electrostatics on personal computers Journal of Molecular Structure-Theochem. 256: 113-123. DOI: 10.1016/0166-1280(92)87161-R |
0.315 |
|
| 1992 |
Buschmann J, Luger P, Koritsanszky T, Schmidt H, Steudel R. Structure and electron density of solid dimethoxysulfane, (CH3O)2S Journal of Physical Chemistry. 96: 9243-9250. |
0.334 |
|
| 1991 |
Koritsanszky T, Strumpel MK, Buschmann J, Luger P, Hansen NK, Pichon-Pesme V. 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. 113: 9148-9154. DOI: 10.1021/Ja00024A020 |
0.458 |
|
| 1991 |
Koritsanszky T, Buschmann J, Denner L, Luger P, Knoechel A, Haarich M, Patz M. Low-temperature x-ray and neutron diffraction studies on 18-crown-6.2 cyanamide including electron density determination Journal of the American Chemical Society. 113: 8388-8398. DOI: 10.1021/Ja00022A028 |
0.382 |
|
| 1991 |
Buschmann J, Koritsanszky T, Kuschel R, Luger P, Seppelt K. Structure and electron density of (2,2,2-trifluoro-1-methylethylidene)sulfur tetrafluoride, F4S=C(CH3)CF3 Journal of the American Chemical Society. 113: 233-238. DOI: 10.1021/Ja00001A033 |
0.442 |
|
| 1990 |
Kalman A, Koritsanszky T, Beres J, Sagi G. Crystal and molecular structure of (+)-carba-thymidine, C11H16N2O6 Nucleosides, Nucleotides & Nucleic Acids. 9: 235-243. DOI: 10.1080/07328319008045135 |
0.326 |
|
| 1987 |
Jalsovszky I, Kucsman Á, Ruff F, Argay G, Koritsánszky T, Kálmán A. Conformational analysis of thiolane-1-amides: an x-ray study of thiolane-1-tosylimide and diastereoisomeric 2-alkylthiolane-1-(arylsulphonyl)imides Journal of Molecular Structure. 156: 193-212. DOI: 10.1016/0022-2860(87)87024-2 |
0.358 |
|
| 1987 |
Jalsovszky I, Kucsman Á, Ruff F, Koritsánszky T, Argay G, Kálmán A. Conformational analysis of thiane-1 imides: an x-ray study of thiane-1-tosylimide and diastereoisomeric 2-alkyl- and 4-phenylthiane-1-tosylimides Journal of Molecular Structure. 156: 165-192. DOI: 10.1016/0022-2860(87)87023-0 |
0.335 |
|
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