Dr. Tibor Koritsanszky

Professor

Dr. Tibor Koritsanszky
615-904-8592
Room 3073, Science Building (SCI)
MTSU Box 68, Murfreesboro, TN 37132

Areas of Expertise

Experimental Discharge Density Determination
High Resolution Crystallography
Interpretation of Atomic Displacement Parameters obtained from Diffraction Data
Crystallographic Computing
Theoretical and Physical Chemistry
Molecular Modeling

Biography

Publications
Gy. Jakli, T. Koritsanszky and G. Jancso, Effect of Deuterium Substitution
on the Vapor Pressure of Acetonitrile, Ber. Bunsenges. Phys. Chem. 1981,
85, 773.

T. Koritsanszky and Gy. Menczel, 2,2-(p-Phenylene)di-propanol,
Acta Cryst. 1982, B38, 1617.

A. Kalman, T. Koritsanszky, I. Kapovits and A. Kucsman, A Reinvestigation of the Structure of N-Dichloroacetyl-S,S-Diethylsulphilimine,
Acta Cryst. 1982, B3... Read More »
Publications
Gy. Jakli, T. Koritsanszky and G. Jancso, Effect of Deuterium Substitution
on the Vapor Pressure of Acetonitrile, Ber. Bunsenges. Phys. Chem. 1981,
85, 773.

T. Koritsanszky and Gy. Menczel, 2,2-(p-Phenylene)di-propanol,
Acta Cryst. 1982, B38, 1617.

A. Kalman, T. Koritsanszky, I. Kapovits and A. Kucsman, A Reinvestigation of the Structure of N-Dichloroacetyl-S,S-Diethylsulphilimine,
Acta Cryst. 1982, B38, 1843.

T. Koritsanszky, A. Kalman, J. Beres, K. Kömives and L. Ötvös, Structure of Ammonium 5-Fluoro-2-Deoxyuridine Cyclic 3,5-Monophosphate Trihydrate, Acta Cryst. 1983, C39, 772.

M., M.-Meresz, J. Kuszmann, I. Perczer, L.Parkanyi, T. Koritsanszky and A. Kalman, Synthesis and Reactions of 2,3-Anhydro-1-b-D-Ribofuranosyl-Uracil Derivates: Molecular Structures of 3-Methyl-2,3-Anhydrouridine and 3,5-Dimethyl-2-3:06,5-Dianhydrouridine, Tetrahedron II, 1983, 39, 275.

J. Beres, P. Sandor, A. Kalman, T. Koritsanszky and L. Ötvös, An Efficient Synthesis of Certain 5-Substituted-2-Deoxyuridine 3,5-Cyclic Monophosphate P-O-Alkyl (Aralkyl) Esters. The Crystal Structure of 5-Iodo-2-Deoxyuridine 3,5-Cyclic Monophosphate P-O-Methyl Ester with Axial Methoxy Group, Tetrahedron, 1984, Vol. 40, No.12, 2405.

A. Kalman and T. Koritsanszky, I. Jalsovszky, F. Ruff and A. Kucsman, X-ray Study on the Conformation of 2-Alkyl-Thiolane and 2-Alkyl-Thiane-1-Tosylimides,
Acta Cryst. 1984, A40, C274.

Gy. Kalaus, N. Malkieh, I. Katona, M., K-Predy, T. Koritsanszky, A. Kalman, L. Szabo and Cs. Szantay, Synthesis of Vica Alkaloids and Related Compounds. Preparation of Eburnamonine, 3-Epieburnamonie and C-Norquebrachamine from a Common Intermediate, J. Org. Chem. 1985, 50, 3760.

T. Koritsanszky and P. Coppens, Combined Refinement of X-ray and
Polarized Neutron Data, ACA Annual Reports, 1985, Vol. 13, 49.

K. Körmendy, A. Kalman, T. Koritsanszky, I. Kövesdi, P. Sohar and F. Ruff, Aminophthalazinone Derivative, XI. Chemical Properties of Imidazo- and Pyrimido [2,1a] Phthalazinone Systems, Acta Chimica Hungarica, 1986, 123, (1-2), 15.

P. Coppens, T. Koritsanszky and P. Becker, Transition Metal Complexes: What can we learn by Combining Experimental Spin and Charge Densities?
Chemica Scripta, 1986, 26, 463.

T. Koritsanszky, P. Coppens, Testing of Combined Charge and Spin Density Refinement on Ab-initio Generated Structure Factors,
ACA Annual Reports, 1986, Vol. 14, 56.

Gy. Hajos, A. Messmer and T. Koritsanszky, Selective Ring Openings of Isomeric Fused Thiazolium Salts with Nucleophiles, J. Org. Chem., 1987, 52, 2015.

I. Jalsovszky, A. Kucsman, F. Ruff, T. Koritsanszky, Gy. Argay and A. Kalman, Conformational Analysis of Thiane-1 Imides: An X-ray Study of Thiane-1-Thosylimide and Diastereomeric 2-Alkyl- and 4-Phenylthiane-1-Tosylimides,
J. Mol. Struc. 1987, 156, 165.
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I. Jalsovszky, A. Kucsman, F. Ruff, Gy. Argay, T. Koritsanszky and A. Kalman, Conformational Analysis of Thiolane-1 Imides: An X-ray Study of Thiolane-1-Thosylimide and Diastereomeric 2-Alkylthiolane-1-(Arylsulphonyl) Imides,
J. Mol. Struc.1987, 156, 193.

T. Koritsanszky, P.R. Mallinson, E. Elkaim, N. Li and P. Coppens, The Gram-Charlier and Multipole Expansion in Accurate Diffraction Studies,
ACA Annual Reports,1987, Vol. 15, 78.

P.R. Mallinson, T. Koritsanszky, E. Elkaim, N. Li and P. Coppens, The Gram-Charlier and the Multipole Expansions in Accurate X-ray Diffraction Studies: Can They be Distinguished? Acta Cryst. 1988, A44, 336.

T. Koritsanszky and P. Coppens, Localized Molecular Orbital/Multipole Formalism for Charge and Spin Density in Combined Refinement to Theoretical X-ray and Magnetic Data, Portugal. Phys. 1988, 19, 241.

Gy. Hajos, A. Messmer and T. Koritsanszky, Különbözö Anellacioju Kondenzalt Tiazoliumsok szelectiv gyürüfelnyilasai nukleofilekkel,
Magyar Kemiai Folyoirat, (in Hungarian), 1989, 95, 49.

A. Kalman, T. Koritsanszky, J. Beres and Gy. Sagi, Crystal and Molecular Structure of (+)-Carba-Thymidine, Nucleosides and Nucleotides, 1990, 9(2), 235.

T. Koritsanszky, A. Kalman, T. Timar, J. Jekö, J. Cs. Jaszberenyi, Structure of 9-Bromo-2,3-Dihydro-5,5-Dimethyl-8-Methoxy-5H[1]-Benzopyrano [3,4-b][1,4] Dithiine, Acta Cryst. 1990, C46, 2216.

J. Buschmann, P. Luger, T. Koritsanszky, H. Schmidt, R. Steudel, Structur und Elektronendichteverteilung von Dimethyl-Sulfoxylat, C2H6O2S, und Dimethoxydisulfan, , Zeitschrift f. Krist. 1991, S3, 40. 2262SOHC

R., F., X. Klein, P., D., N. Svoronos, V. Horak, G., B. Jameson, T. Koritsanszky and A. Kalman, Conformational Properties of the N-Tosylsulfilimines of Dibensothiophene, Phenoxathiin and Thianthrene, J. Org. Chem. 1991, 56, 3259.

J. Buschmann, T. Koritsanszky, R. Kuschel, P. Luger and K. Seppelt, Structure and Electron Density of (2,2,2-Trifluoro-1-Methylethylidene) Sulfur Tetrafluoride,
J. Am. Chem. Soc.1991, 113, 3259.

T. Koritsanszky, J. Buschmann, L. Denner, P. Luger, A. Knöchel, M. Haarich and M. Patz, Low-Temperature X-ray and Neutron Diffraction Studies on 18-Crown-6 * 2 Cyanamide. Including Electron Density Determination,
J. Am. Chem. Soc.1991, 113. 8388.

T. Koritsanszky, M. Strumpel, J. Buschmann, P. Luger,N. K. Hansen and V. P.-Pesme, 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, J. Am. Chem. Soc. 1991, 113, 9148.

J. Buschmann, T. Koritsanszky, P. Luger, R. Gerhardt and K. Seppelt, Structure und Elektronendichte von Trifluorethylidyn-Schwefel-Trifluorid,
Zeitschrift f. Krist.1992, S5, 37.

Gy.G. Ferenczy, J.G. Angyan, T. Koritsanszky, J. Nagy, G. Naray-Szabo, Protein Electrostatics on Personal Computers, J. Mol. Struc. (Theochem), 1992, 256, 113.

D. Zobel, P. Luger, W. Dreissig and T. Koritsanszky, Charge Density Studies on Small Organic Molecules around 20K, Acta Cryst. 1992, B48, 837.

J. Buschmann, P. Luger, T. Koritsanszky, H. Schmidt and R. Steudel, Structure and Electron Density of Solid Dimethoxysulfane, J. Phys. Chem. 1992, 96, 9243.

A. Knöchel, A. Haarich, P.Luger, T. Koritsanszky, J. Buschmann and D. Zobel, Electron Densities on Complexes of 18-Crown-6, Pure and Appl. Chem. 1993, 65, 503.
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D. Szabo, I. Kapovits, A. Kucsman, P. Huszthy, Gy. Argay, M. Czugler, V. Fülöp, A. Kalman, T. Koritsanszky and P. Parkanyi, Spirosul-furanes with Different Heteroatoms in Axial Position. A Comparison of N-S(IV)-O and N-S+(IV)…O= Bond Systems,
J. Mol. Struc. 1993, 300, 23.

I. Kapovits, J. Rabai, D. Szabo, K. Czako, A. Kucsman, Gy. Argay, V. Fülöp, A. Kalman, T. Koritsanszky and P. Parkanyi, Diaryl-Diacyl-Oxy-Spiro-Sulfuranes, 3 Sulfuranes with 5-Membered, 6-Membered, and 7-Membered Spirorings: Syntheses and Molecular Structure, J. Chem. Soc., Perkin Trans. 2, 847,1993.

T. Koritsanszky, J. Buschmann and P. Luger, Charge Density Study on Bullvalene,
Z. Naturforsch. 1993, 48A, 55

J. Buschmann, M. Strumpel, P. Luger and T. Koritsanszky, Anomeric Effect and Charge Density of Dioxane and Dichlorodioxane, Z. Naturforsch. 1993, 48A, 51.

T. Koritsanszky, J. Buschmann, P. Luger, H. Schmidt and R. Steudel, Structure and Electron Density of Solid Dimethoxydisulfane, J. Phys. Chem.1994, 98, 5416.

T. Koritsanszky and P. Luger, Experimental Charge Density Studies at Different Temperatures, Zeitschrift f. Krist. 1994, S8, 609.

T. Koritsanszky and P. Luger, Topological Analysis of Molecular Charge Densities, Zeitschrift f. Krist. 1994, S8, 600.

T. Koritsanszky, T. Richter, S. Howard, N.K. Hansen, S. Su and R.P. Mallinson, XD94: A Charge Density Program Package, Zeitschrift f. Krist. 1994, S8, 599.

T. Koritsanszky and H.-B. Bürgi, UBSBA: A Segmented Rigid-Body Analysis Program, Zeitschrift f. Krist. 1994, S8, 598.

D. Zobel, T. Koritsanszky and P. Luger, Charge Density Study on Potassium-Bifluoride () at 20K, Zeitschrift f. Krist. 1994, S8, 608. 2KHF

P. Fuhrmann, T. Koritsanszky and P. Luger, Structure and Deformation Density in High-Temperature Superconductors of Type (R=Sm, Y) above and below , Zeitschrift f. Krist. 1994, S8, 277. dOCuRBa−732cT

T. Koritsanszky, J. Buschmann, P. Luger, A. Knöchel and M. Patz, Experimental Charge Density Study on an Ionic Crown Ether Complex: , J. Am. Chem. Soc. 1994, 116, 6748. OHNCrownKc23]618[L−+−−

J. Rabai, I. Kapovits, Gy. Argay, T. Koritsanszky and A. Kalman, Diaryl(acyloxy)-sulf-on-ylaminospiro-l4 sulfanes. Synthesis, Molecular Structure and Rearrangement,
J. Chem. Soc., Chem. Commun., 1995, 1069.

R. Steudel, H. Schmidt, E. Baumeister, H. Oberhammer and T. Koritsanszky, Gas-Phase Structure and Vibrational Spectra of Dimethoxyddisulfane, , 3 2 2 CH O) S
J. Phys. Chem., 1995, 99, 8987.

T. Koritsanszky, J. Buschmann and L. Luger, Topological Analysis of Experimental Electron Densities (1): The Different C-C Bonds in Bullvalene,
J. Phys. Chem.1996, 100, 10547.

J. Rabai, I. Kapovits, I. Jalsovszky, Gy. Argay, V. Fülöp, A. Kalman and T. Koritsanszky, Molecular Structures of Cyclic Sulfilimines without and with Intramolecular Sulfur-oxygen Interaction: An X-ray Study,
J. Mol. Struc. 1996, 382, 13.

P. Fuhrmann, T. Koritsanszky and P. Luger, Experimental Electron Density Study on 1,2,4-Triazole at 15 K. A Comparison with ab-initio calculations,
Zeitschrift f. Krist.1996, 212, 213.
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G. Perpetuo, J. Buschmann, P. Luger, T. Koritsanszky and D. Preugschat, Low Temperature Crystallization, Structure Analysis and Charge Density of Pentafluoro-sulfanyl Isocyanate, , Zeitschrift f. Krist. 1996, S11, 39. NCOSF5

T. Koritsanszky, Applications of XD in Charge Density Research,
Acta Cryst.1996, A52, C-350.

J. Buschmann, T. Koritsanszky, M. Ramm and P. Luger, Experimental Charge Density of L-Serine and D,L-Serine, Acta Cryst. 1996, A52, C-346.

R. Flaig, T. Koritsanszky, P. Luger and D. Zobel, The Charge Density of D,L-Aspartic Acid, Acta Cryst. 1996, A52, C-352.

G. Perpetuo, T. Koritsanszky, D. Preugschat, D. Lentz and P. Luger, Topological Properties of the Electron Density of Pentafluor-Sulfanyl Derivatives,
Acta Cryst. 1996, A52, C-354.

R. Flaig, D. Zobel, T. Koritsanzsky, P. Luger and H.-G. Krane,
HASYLAB Annual Reports, 1996, 643.

T. Richter, T. Koritsanszky, N.K. Hansen, R.P. Mallinson and Z. Su, Computational Aspects of XD, Acta Cryst. 1996, A52, C-79.

P. Luger, M. Weber, D. Zobel, T. Koritsanszky and R.W. Williams, Zur Homoaromatizität von Semibullvalenen: Röntgenexperimente an einem bisanellierten Semibullvalenderivat im Tempereturbereich 293 bis 15K,
Zeitschrift f. Krist. 1997, S12, 38.

T. Richter and T. Koritsanszky, The XD Package, ACA Annual Reports, 1997, 24, 30.

T. Koritsanszky, Advanced Multipole Refinements, ACA Annual Reports, 1997, 24, 41.

T. Koitsanszky, Model Formalisms and Refinement, ACA Annual Reports, 1997, 24, 29.

R. Flaig, T. Koritsanszky, D. Zobel, H.-G. Krane, W. Morgenroth and P. Luger, HASYLAB Annual Reports, 1997, 207.

R. Flaig, T. Koritsanszky, D. Zobel, H.-G. Krane, W. Morgenroth and P. Luger, HASYLAB Annual Reports, 1997, 209.

R. Flaig, T. Koritsanszky, P. Luger, D. Zobel and W. Morgenroth, Topologische Eigenschaften der Elektronendichte von L-Threonin,
Zeitschrift f. Krist. 1997, S12, 178.

T. Koritsanszky and P. Luger, Electronic Properties from X-ray Diffraction Data, Zetschrift f. Krist. 1997, S12, 258.

R. Flaig, T. Koritsanszky, P.Luger, D. Zobel, W. Morgenroth, H.-G. Krane, Topological Properties of the Charge Density of D,L-Proline Monohydrate,
Zeitschrift f. Krist. 1997, S14, 110.

T. Koritsanszky, R. Flaig, D. Zobel, H.G. Krane, W. Morgenroth and P. Luger, Accurate Experimental Electronic Properties of D,L-Proline Monohydrate within one Day, Science, 1998, Vol. 279, 356.

R. Flaig, T. Koritsanszky, D. Zobel and P. Luger, Topological Analysis of Experimental Electron Densities of Amino Acids: 1. D,L-Aspartic Acid at 20K,
J. Am. Chem. Soc. 1998, 120, 2227.

R. Flaig, T. Koritsanszky, P. Luger, D. Zobel, W. Morgenroth and H.G. Krane, Synchrotron/CCD-Experimente zur Experimentellen Ladungsdichtebestimmung, Zeitschrift f. Krist. 1998, S15, 69.

J. Janczak, P. Luger, T. Koritsanszky, D. Zobel and R. Flaig, Electrostatic Potential of L-Threonine: Experimental and Theoretical Results, Zeitschrift f. Krist. 1998, S15, 71.

T. Koritsanszky, J. Buschmann, P. Luger and D. Lentz, Constrained Multipole Refinements and Experimental Electron Densities of Difluoro-Allene and Diisocyano-Methane, Zetschrift f. Krist. 1998, S15, 72.
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T. Koritsanszky, Rigid-Link Constraints in Multipole Refinements, Zeitschrift f. Krist. 1998, S15, 198.

T. Koritsanszky, R. Flaig, Charge Densities based on Synchrotron/CCD Experiments, Materials Structure in Chemistry, Biology, Physics and Technology, 1998, 5, 10.

Y. Abramov, B. O. Korjov, I. V. Novozhilova, T. Koritsanszky and P. Coppens, A combined Topological and Electrostatic Study of the Intermolecular Interactions in a Number of Amino Acids. ACA Annual Reports, 1998.

R. Flaig, T. Koritsanszky, P. Luger, D. Zobel, W. Morgenroth and H-G. Krane, Synchrotron/CCD Experiments for Experimental Charge Density Determination, HASYLAB Annual Reports, 1998.

R.V. Williams, V.R. Gadgil, P. Luger, T. Koritsanszky and M. Weber, The Search for Homoaromatic Semibullvalenes. Part 6. X-ray Structure and Charge Density Studies of 1,5-Dimethyl-2,4,6,8-semibullvalenecarboxylic Dianhydride in the Temperature Range 123-15K, J. Org. Chem. 1999, 64, 1180.

R. Flaig, T. Koritsanszky, J. Janczak, P.Luger, H.-G. Krane and W. Morgenroth, Schnelle Experimente zur Ladungsdichtebestimmung: Topologische Analyse und Electrostatisches Potential von vier Aminosäuren, L-Asn, DL-Glu, DL-Ser, L-Thr, Angew. Chem, 1999, 111, 1494, Angew. Chem. Int. Ed. 1999, 38, Vol. 10, 1397.

T. Koritsanszky, J. Buschmann, D. Lentz, P. Luger, G. Perpetuo and M. Röttger, Topological Analysis of Experimental Electron Densities of Small Organic Molecules: 2. Diisocyanomethane at 115K, Chem. Eur. J. 1999, 5, No. 11, 3413.

P. Coppens, A. Volkov, Y. Abramov and T. Koritsanszky, On the Errors in Molecular Dipole Moments Derived from Accurate Diffraction Data, Acta Cryst. 1999, A55, 965.

R. Flaig, T. Koritsanszky, R. Soyka and P. Luger, Ladungsdichtestudie an einem Antithrombotischen Wirkstoff, Zeitschrift f. Krist. 1999, S16, 75.

T. Koritsanszky, On the Quality of Experimental Densities from Synchrotron-CCD Data, Acta Cryst. 1999, A55, 312.

P. Luger, R. Flaig and T. Koritsanszky, Topological Properties of Amino Acids; a Comparative Study, Acta Cryst.1999, A55, 38.

R. Flaig, P. Luger and T. Koritsanszky, Charge Density Study on an Antithrombotic Drug; New Aspects in Drug Design, Acta Cryst. 1999, A55, 515.

B. Dittrich, P. Luger and T. Koritsanszky, From Amino Acids to Dipeptide; an Experimental Charge Density Study, Acta Cryst. 1999, A55, 516.

A. Wagner, P. Bombicz, R. Flaig, P. Luger and T. Koritsanszky, Experimental Charge Density of Penicillin Derivatives, Acta Cryst. 1999, A55, 515.

D. Zobel, R. Flaig, A. Wagner, B. Dittrich, H.-G. Krane, P. Luger and T. Koritsanszky, Electron Density Study of a Hexasubstituted Derivative, 60C
HASYLAB Annual Reports, 1999, 185.

T. Koritsanszky, D. Zobel and P. Luger, Topological Analysis of Experimental Electron Densities of Small Organic Molecules. 3. Potassium Hydrogen(+)-Tartrate at 15K,
J. Phys. Chem. 2000, A104, 1549.

D. Zobel, R. Flaig, A. Wagner, B. Dittrich, P. Luger, M. Strumpel, H.-G. Krane and T. Koritsanszky, Elektronendichtestudie eines Hexasubstituierten C60-Fullerenderivats, Zeitschrift f. Krist. 2000, S17, 60.

R. Flaig, P. Luger and T. Koritsanszky, Topologische Analyse Intermolekulaler Wechselwirkungen in Aminosäuren, Zeitschrift f. Krist. 2000, S17, 60.

A. Wagner, R. Flaig, T. Koritsanszky and P. Luger, Ladungsdichteuntersuchungen an Penicillinderivaten, Zeitschrift f. Krist. 2000, S17, 78.
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B. Dittrich, R. Flaig, T. Koritsanszky, P. Luger, H.-G. Krane and W. Morgenroth, Topological Properties of the Peptide Bond in Glycyl-L-Threonine Dihydrate Based on a Fast Synchrotron/CCD-Diffraction Experiment at 100K,
Chem. Eur. J. 2000, 6, No. 14, 2582.

J. Buschmann, T. Koritsanszky, D. Lentz, P. Luger, N. Nickelt and S. Willemsen, Structure and Charge Density Studies on 1,1-Difluoroallene and Tetrafluoroallene, Zeitschrift f. Krist. 2000, 215, 487.

A. Benesi, R. Bertermann, H. Förster, M. Heubes, L.M. Jackman, T. Koritsanszky, P. Luger, A. Mayer, H. Quast, M. Seefelder and D. Zobel, Perturbation of Degeneracy of the Cope Rearrangement by the Crystal Lattice of the β-Form of 1,5-Dimethylsemibullvalene-2, 6-Dicarbinitrile as Studied by Variable –Temperature Solid-State Carbon-13 Spectroscopy and X-ray Crystallography at Cryogenic Temperatures, J. Am. Chem. Soc. 2000, 122, 4455.

P. Kumaradhas, D.C. Levendis and T. Koritsanszky, The Low-temperature Study of D- and D,L-camphoric Anhydride, Acta Cryst. 2000, C56.

B. Dittrich, A. Wagner, P. Luger, T. Koritsanszky, H.G. Krane and H. Schmidt, A Charge Density Study on Vitamin B12, Acta Cryst. 2000, A56, S21.

R. Flaig, T. Koritsanszky and P. Luger, High-resolution Charge Density Studies of the Amino Acids DL-Lysine, DL-Serine, and DL-Valine, Acta Cryst. 2000, A56, S183.

R. Flaig, T. Koritsanszky, R. Soyka, L. Häming and P. Luger, High-resolution X-ray Crystallography in Drug Design: Electronic Properties of an Antithrombotic Agent, Angew. Chem. Int. Ed. 2001, 40, N0. 2, 355.

A. Wagner, T. Koritsanszky and P. Luger, Experimental and Theoretical Charge Density Study of Non-centrosymmetric Thiazolidine-4-carboxylic Acid,
Zeitschrift f. Krist. 2001, S18, 32.

P. Coppens and T. Koritsanszky, Chemical Applications of X-ray Charge Densities, Chemical Reviews, 2001, 101, 1583. (PDF)

R. Flaig, T. Koritsanszky, B. Dittrich, A. Wagner and P. Luger, Intra- and Intermolecular Topological Properties of Amino Acid. A Comparative Study of Experimental and Theoretical Results, J. Am. Chem. Soc., 2002, 124, 3407.

B. Dittrich, T. Koritsanszky, M. Grosche, W. Scherer, R. Flaig, A. Wagner, H.G. Krane, H. Schmidt, H. Kessler, C. Riemer, A.M.M. Schreurs and P. Luger, Reproducibility and Transferability: Experimental Charge Density of a Hexapeptide Cyclo-(D,L-Pro)2-(L-Ala)4 Mohohydrate, Acta Cryst., 2002, B58, 721.

T. Koritsanszky, P. Coppens and A. Volkov, Aspherical-atom Scattering Factors from Molecular Wave Functions. 1.Transferability and Conformation Dependence of Atomic Electron Densities of Peptides within the Multipole Formalism. Acta Cryst. 2002, A58, 464.

A. Wagner, R. Flaig, D. Zobel, B. Dittrich, P. Bombitz, M. Struempel, P. Luger, T. Koritsanszky and H.G. Krane, Charge Density of a Fullerene Derivative Based on a High Resolution Synchrotron Radiation Experiment at 100 K. J. Phys. Chem., 2002, A106, 6581.

G. Wulfsberg, M. Cochran, J. Wilcox, T. Koritsanszky, D.J. Jackson and J.C. Howard, The Weekly Coordinating Trichloromethanesulfonate Anion: NQR Comparison of its Coordinating Abilities via Oxygen with those of the Chloroacetate Ions. J. Inorg. Chem. 2004, 43, 2031.

A. Wagner, R. Flaig, B. Dittrich, H. Schmidt, T. Koritsanszky and P. Luger, Charge Density and Experimental Electrostatic Potentials of two Penicillin Derivatives, Chem. Eur. J., 2004, 10, 2977.
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T. Koritsanszky and A. Volkov, Density Radial Functions for Bonded Atoms, Chem. Phys. Lett. 2004, 383, 431.

A. Volkov, X. Li, T. Koritsanszky and P. Coppens, Ab initio Quality Electrostatic Atomic and Molecular Properties from a Transferable Theoretical Pseudoatom Databank: Comparison of Electrostatic Moments, Topological Properties, and Interaction Energies with Theoretical and Force-Field Results, J. Phys. Chem. 2004, 108, 4283.

B. Dittrich, T. Koritsanszky and P. Luger, A Simple Approach to Molecular Densities with Invarioms , Angew. Chem. Int. Ed. 2004, 43, 2718.

A. Volkov, T. Koritsanszky and P. Coppens, Combination of the Exact Potential and Multipole Methods (EP/MM) for Evaluation of Intermolecular Electrostatic Interaction Energies with Pseudoatom Representations of Molecular Electron Densities, Chem. Phys. Lett. 2004, 391, 170.

A. Volkov, T. Koritsanszky, X. Li and P. Coppens Response to the paper “A comparison between experimental and theoretical aspherical-atom scattering factors for charge-density refinement of large molecules” by V. Pichon-Pesme, C. Jelsch, B. Guillot and C. Lecomte, Acta Cryst. A60, 204-208 2004, Acta Cryst. 2004, A60, 638.
Book Chapters

Gy. Jakli, G. Jancso and T. Koritsanszky, Vapor Pressure Isotope Effect of Acetonitrile, Stable Isotopes, 1981, p.15, Ed.: H.-L. Schmidt, H. Forstel and K. Heinzinger, Elsevier: Amsterdam.

T. Koritsanszky, Experimental Charge Density Determination by X-ray Diffraction, Crystallographic Computing 6, 1993, p. 145-168, Ed.: H. D. Flack, L. Parkanyi and K. Simon, IUCr Oxford Science Publications, Oxford University Press: Oxford, England.

T. Koritsanszky, Molecular Electrostatic Properties from X-ray Diffraction Data, Fundamental Principles of Molecular Modeling, 1996, p. 143-166, Plenum Press, New York, USA.

T. Koritsanszky, Intermolecular Interactions and the Charge Density, Intermolecular Interactions, 1998, p. 57-70, Plenum Press, New York, USA.
Book Reviews T. Koritsanszky, Chemical Crystallography with Pulsed Neutrons and
Synchrotron X-rays, NATO Advanced Science Institute Series C,
React. Kinet. Catal. Lett. 1988, 37, 1, 251. T. Koritsanszky, X-ray Charge Densities and Chemical Bonding, P.
Coppens, 1997, IUCr Monographs on Crystallography, Oxford University
Press, Acta Cryst. 1998, A54, 686.

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