Válogatott publikációk

Könyvek
 
Theory and Practice of MO Calculations on Organic Molecules:   Progress in Theoretical Organic Chemistry, Vol. 1, Elsevier Scientific Publishing Co., 1976.
 
Applications of MO Theory in Organic Chemistry:   Progress in Theoretical Organic Chemistry, Vol. 2, Elsevier Scientific Publishing Co., 1977.
 
Computational Theoretical Organic Chemistry, D. Reidel Publishing Co., 1981.
 
Molecular Structure and Conformation:   Progress in Theoretical Organic Chemistry, Vol. 3, Elsevier Scientific Publishing Co., 1982.
 
Recent Advances in Organic Sulfur Compounds, Elsevier Publishing Co., 1985.
 
Handbook of Gaussian Basis Sets, Elsevier Science Publisher Co., 1985.
 
New Theoretical Concepts for Understanding Organic Reactions, Kluwer Academic Publishers, 1989.
 
Computational Advances in Organic Chemistry:   Molecular Structure and Reactivity, Kluwer Academic Publishers, 1991.
 
Theoretical and Computational Models for Organic Chemistry, Kluwer Academic Publishers, 1991.
 
Organic Reactions, Equilibria, Kinetics and Mechanism,Elsevier Science
 
Basic Principles of Organic Chemistry, Quirk Press, 1997
 
A study of Organic Reaction Mechanisms, National Textbook Publisher, Budapest, 2000
 
The Role of Chemistry in the Evolution of Molecular Medicine, Elsevier, 2004
 
Tanulmányok
 
K. S. Lau, A. Mantas, G. A. Chass,   F. H. Ferretti, M. Estrada, G. Zamarbide and I. G. Csizmadia, (2002) Ab Initio and DFT Conformational Analysis of Selected Flavones : 5,7-dihydroxyflavone (chrysin) and 7,8-dihydroxyflavone, , Can. J. Chem. 80, 845 – 855.
 
D. H. Setiadi , G. A. Chass, L. L. Torday, A. Varro, J. Gy.. Papp and I.G. Csizmadia (2002), Vitamin E Models. The effect of heteroatom substitution in 2-ethyl-2-methyl chroman and 2-ethyl-2-methyl-6-hydroxychroman, The Eur. Phys. J. D, 20, 609-618.
 
G. I. Csonka, G. A. Schubert, A. Perczel,C. P. Sosa and I. G. Csizmadia (2002) Ab Initio Conformational Space Study of Model Compounds of O-Glycosides of serinediamide, Chem. Eur. J. 8, 4718 -4733
 
S. J. K. Jensen, T. H. Tang, Csizmadia IG (2003) Hydrogen-bonding ability of a methyl group J. Phys. Chem. A 107 : 8975-8979.
 
V. V. Kónya, P. G. Meszaros, B. Viskolcz and I.G. Csizmadia. (2003) Conformational analysis of oxidized vitamin-C. J. Mol. Struct. (THEOCHEM) 666-667; 397-400.
 
J. R. Juhasz, L. F. Pisterzi, D. M. Gasparro, D.R.P. Almeida, and I. G. Csizmadia. (2003)  The Effects of Conformation on the Acidity of Ascorbic Acid: A Density Functional Study. J. Mol. Struct. (THEOCHEM) 666-667; 401-407.
 
J. H. Keller, G. A. Chass and I.G. Csizmadia. (2003) An Isodesmic Comparison of the C1 Modified Reduced Pteridine Ring as a Folic Acid Model. J. Mol. Struct. (THEOCHEM) 666-667; 409-414.
 
G. N. Zamarbide, M. R. Estrada, M. A. Zamora, L. L.Torday, R. D.Enriz, F. Tomás Vert and I.G.Csizmadia. (2003) An Ab Initio Conformational Study on Captopril. J. Mol. Struct. (THEOCHEM) 666-667; 599-608.
 
A. Perczel, P. Hudaky, A. K. Fuzery, I.G. Csizmadia. (2004) Stability issues of covalently and noncovalently bonded peptide subunits. J. Comp. Chem. 25 (8): 1084-1100.
 
D. R. P. Almeida, D. M. Gasparro, F. Fulop, I. G. Csizmadia, (2004) Pharmacophore fragment-based prediction and gas-phase ab initio optimization of carvedilol conformations. J. Phys. Chem. A. 108 (29): 6239-6247
 
D. R. P. Almeida,   D. M. Gasparro, T. A. Martinek,  F. Fulop, I. G. Csizmadia, (2004) Resolution of Carvedilol’s Conformational Surface via Gas and Solvent Phase Density Functional Theory Optimizations and NMR Spectroscopy. J. Phys. Chem. A. 108 (38): 7719-7729.
 
J. M. S. Law, D. H. Setiadi, G. A. Chass, I.G. Csizmadia, B. Viskolcz. (2005) Flexibility of “Polyunsaturated Fatty Acid Chains” and Peptide Backbones: A Comparative ab initio Study. J. Phys. Chem. A. 109 (3): 520-533.
 
A. Láng, I.G. Csizmadia and A. Perczel (2005) Peptide Models XLV. Conformational Properties of N-Formyl-L-Methioninamide and its Relevance to Methionine in Proteins. Proteins. 58 (3): 571 – 588.
 
M. A. Sahai, T. A. K. Kehoe, J. C. P. Koo, D. H. Setiadi, G. A. Chass, B. Viskolcz, B. Penke, E. F. Pai, I. G. Csizmadia. (2005) First Principle Computational Study on the Full Conformational Space of L-Proline Diamides. J. Phys. Chem. A. 109 (11); 2660-2679.
 
Z. Mucsi, A. Szabó, I. Hermecz, Á. Kucsman, I. G.Csizmadia. (2005) Modelling Rate-Controlling Solvent Effects. The Pericyclic MeisenheimerRearrangement of N-propargylmorpholine N-oxide. J. Am.Chem. Soc. 127(20); 7615-7631.
 
G. A. Chass, R. S. Mirasol, D. H. Setiadi, T. H. Tang, W. Chin, M. Mons, I. Dimicoli, J. P. Dognon, B. Viskolcz, S. Lovas, B. Penke, I. G. Csizmadia (2005) Characterization of the Conformational Probability of N-Acetyl-Phenylalanyl-NH2 by RHF, DFT, MP2 Computation and AIM Analyses, Confirmed by Jet-Cooled Infrared Data, J. Phys. Chem. A 109(24); 5289-5302.
 
A. Perczel, Z. Gaspari, I. G. Csizmadia (2005) Structure and stability of beta-pleated sheets. J. Comp. Chem. 26 (11); 1155-1168.
 
T-H. Tang, E. Deretey, S. J. Knak Jensen, I. G. Csizmadia (2006) Hydrogen bonds: Relation between lengths and electron densities at bond critical points. The Eur. Phys. J. D. 37;217-222
 
Bela Viskolcz, Szilard N. Fejer, Milan Szori, and Imre G. Csizmadia. (2006) Thermodynamic functions of conformational changes I. A comparative first principle study on 1,2-disubstituted ethanes Mol. Phys. (in press).
 
B. Viskolcz, S.N. Fejer and I.G. Csizmadia, (2006) Thermodynamic Functions of Conformational Change: Conformational Entropy as a Measure of Information Accumulation. J. Phys Chem. A (in press).