| Handbook of Gaussian basis sets R Poirier, R Kari, IG Csizmadia | 536 | 1985 |
| Why are B ions stable species in peptide spectra? T Yalcin, C Khouw, IG Csizmadia, MR Peterson, AG Harrison Journal of the American Society for Mass Spectrometry 6 (12), 1165-1174, 1995 | 463 | 1995 |
| The structure and fragmentation of B n (n≥ 3) ions in peptide spectra T Yalcin, IG Csizmadia, MR Peterson, AG Harrison Journal of the American Society for Mass Spectrometry 7 (3), 233-242, 1996 | 351 | 1996 |
| Peptide models. 1. Topology of selected peptide conformational potential energy surfaces (glycine and alanine derivatives) A Perczel, JG Angyan, M Kajtar, W Viviani, JL Rivail, JF Marcoccia, ... Journal of the American chemical society 113 (16), 6256-6265, 1991 | 293 | 1991 |
| Theory and practice of MO calculations on organic molecules IG Csizmadia Elsevier, 2016 | 238 | 2016 |
| A theoretical study of the Edward–Lemieux effect (the anomeric effect). The stereochemical requirements of adjacent electron pairs and polar bonds S Wolfe, A Rauk, LM Tel, IG Csizmadia Journal of the Chemical Society B: Physical Organic, 136-145, 1971 | 156 | 1971 |
| Organic reactions: equilibria, kinetics, and mechanism F Ruff, IG Csizmadia (No Title), 1994 | 154 | 1994 |
| Bonding between nonbonded sulfur and oxygen atoms in selected organic molecules (a quantum chemical study) JG Angyan, RA Poirier, A Kucsman, IG Csizmadia Journal of the American Chemical Society 109 (8), 2237-2245, 1987 | 149 | 1987 |
| Irrelevance of d-orbital conjugation. I.. alpha.-Thiocarbanion. Comparative quantum chemical study of the static and dynamic properties and proton affinities of carbanions … F Bernardi, IG Csizmadia, A Mangini, HB Schlegel, MH Whangbo, S Wolfe Journal of the American Chemical Society 97 (8), 2209-2218, 1975 | 149 | 1975 |
| Ab Initio SCF–MO–CI Calculations for H−, H2, and H3+ Using Gaussian Basis Sets IG Csizmadia, RE Kari, JC Polanyi, AC Roach, MA Robb The Journal of Chemical Physics 52 (12), 6205-6211, 1970 | 144 | 1970 |
| Mechanism of the Wolff rearrangement IG Csizmadia, J Font, OP Strausz Journal of the American Chemical Society 90 (26), 7360-7361, 1968 | 143* | 1968 |
| Non-empirical LCAO-MO-SCF-CI calculations on organic molecules with Gaussian type functions: Part I. Introductory review and mathematical formalism IG Csizmadia, MC Harrison, JW Moskowitz, BT Sutcliffe Theoretica chimica acta 6, 191-216, 1966 | 138 | 1966 |
| Theoretical Study on the Proton Affinity of Small Molecules Using Gaussian Basis Sets in the LCAO–MO–SCF Framework AC Hopkinson, NK Holbrook, K Yates, IG Csizmadia The Journal of Chemical Physics 49 (8), 3596-3601, 1968 | 137 | 1968 |
| α- and 310-Helix Interconversion: A Quantum-Chemical Study on Polyalanine Systems in the Gas Phase and in Aqueous Solvent IA Topol, SK Burt, E Deretey, TH Tang, A Perczel, A Rashin, IG Csizmadia Journal of the American Chemical Society 123 (25), 6054-6060, 2001 | 129 | 2001 |
| Hydrogen bonds: Relation between lengths and electron densities at bond critical points TH Tang, E Deretey, SJ Knak Jensen, IG Csizmadia The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2006 | 128 | 2006 |
| Structure and fragmentation of b2 ions in peptide mass spectra AG Harrison, IG Csizmadia, TH Tang Journal of the American Society for Mass Spectrometry 11 (5), 427-436, 2000 | 116 | 2000 |
| Peptide models 6. New. beta.-turn conformations from ab initio calculations confirmed by x-ray data of proteins A Perczel, MA McAllister, P Csaszar, IG Csizmadia Journal of the American Chemical Society 115 (11), 4849-4858, 1993 | 116 | 1993 |
| Theoretical definition of the size of electron pairs and its stereochemical implications MA Robb, WJ Haines, IG Csizmadia Journal of the American Chemical Society 95 (1), 42-48, 1973 | 111 | 1973 |
| In Silico Study of Full-Length Amyloid β 1−42 Tri- and Penta-Oligomers in Solution MF Masman, ULM Eisel, IG Csizmadia, B Penke, RD Enriz, SJ Marrink, ... The Journal of Physical Chemistry B 113 (34), 11710-11719, 2009 | 108 | 2009 |
| Density functional theory investigation of the alkyl–alkyl Negishi cross‐coupling reaction catalyzed by N‐heterocyclic carbene (NHC)–Pd complexes GA Chass, CJ O'Brien, N Hadei, EAB Kantchev, WH Mu, DC Fang, ... Chemistry–A European Journal 15 (17), 4281-4288, 2009 | 106 | 2009 |
