G. Csonka

发表

The origin of the problems with the PM3 core repulsion function

János G. Ángyán, J. Ángyán, Gábor I. Csonka, 1997 .

Prediction of geometrical parameters for silatranes: an ab initio molecular orbital and density functional theory study

G. Csonka, P. Hencsei, 1996 .

The structure of 1‐chlorosilatrane: An ab initio molecular orbital and a density functional theory study

G. Csonka, P. Hencsei, 1996 .

Fluorinated cellobiose and maltose as stand-ins for energy surface calculations

G. P. Johnson, A. French, G. Csonka, 2005 .

Unified Inter- and Intramolecular Dispersion Correction Formula for Generalized Gradient Approximation Density Functional Theory.

C. Corminboeuf, S. Steinmann, G. Csonka, 2009, Journal of chemical theory and computation.

Ab initio conformational space study of model compounds of O-glycosides of serine diamide.

A. Perczel, I. Csizmadia, G. Csonka, 2002, Chemistry.

Inclusion of exact exchange for self-interaction corrected H3 density functional potential energy surface

Benny G. Johnson, G. Csonka, 1998 .

Prospects in computational molecular medicine: a millennial mega-project on peptide folding

A. Perczel, I. Csizmadia, A. K. Füzéry, 2000 .

UPS investigation of 1-substituted pyrroles

G. Csonka, L. Nyulászi, J. Nagy, 1990 .

Investigation of 3-substituted benzazaphospholes and benzazarsoles by UV-photoelectron spectroscopy

G. Csonka, L. Nyulászi, T. Veszprémi, 1989 .

Investigation of heterocyclic compounds containing a PC or AsC bond by ultraviolet photoelectron spectroscopy

G. Csonka, L. Nyulászi, T. Veszprémi, 1989 .

Theoretical study of intramolecular hydrogen bonding and molecular geometry of 2‐trifluoromethylphenol

I. Kolossváry, I. Hargittai, G. Csonka, 1996 .

Structure of disiloxane: A semiempirical and Post‐Hartree–Fock study

Gábor I. Csonka, Miklóklos Erdösy, József Réffy, 1994, J. Comput. Chem..

The photoelectron spectrum and conformation of phenylphosphine and phenylarsine

D. Szieberth, G. Csonka, L. Nyulászi, 1995 .

The molecular structure of 1-phenylsilatranone

G. Csonka, L. Párkányi, P. Hencsei, 1987 .

Quantum mechanical/molecular mechanical self‐consistent Madelung potential method for treatment of polar molecular crystals

György G. Ferenczy, Gábor I. Csonka, János G. Ángyán, 1998 .

Ab initio and DFT investigations of intramolecular hydrogen bonding in 1,2-ethanediol

J. Ángyán, I. Csizmadia, N. Anh, 1995 .

Ab initio molecular orbital study of 1‐fluorosilatrane

Gábor I. Csonka, Pal Hencsei, G. Csonka, 1994, J. Comput. Chem..

AM1 and PM3 semiempirical molecular orbital study of silatranes III. 1-Chlorosilatrane

G. Csonka, P. Hencsei, 1993 .

AM1 and PM3 semiempirical molecular orbital study of silatranes.

G. Csonka, P. Hencsei, 1993 .

MNDO, AM1 and PM3 semiempirical molecular orbital study of 1-fluorosilatrane

G. Csonka, P. Hencsei, 1993 .

Peptide models XV. The effect of basis set size increase and electron correlation on selected minima of the ab initio 2D-Ramachandran map of For-Gly-NH2 and For-l-Ala-NH2

Imre G. Csizmadia, András Perczel, Michael A. McAllister, 1997 .

Evaluation of Density Functionals and Basis Sets for Carbohydrates.

G. P. Johnson, A. French, G. Csonka, 2009, Journal of chemical theory and computation.

The failure of the MO-based theoretical explanations for bending of disiloxane

G. Csonka, J. Réffy, 1995 .

Density functional study of the equilibrium geometry and Si-O-Si potential energy curve of disiloxane

G. Csonka, J. Réffy, 1994 .

New development in RECEP rapid estimation of correlation / energy from partial charges method

G. Csonka, S. Kristyán, 1999 .

The conformational space of selected aldo-pyrano-hexoses

I. Kolossváry, I. Csizmadia, P. Császár, 1997 .

Ab initio and density functional study of the conformational space of 1C4 α‐L‐fucose

I. Csizmadia, G. Csonka, K. Éliás, 1997 .

Conformational analysis of cellobiose by electronic structure theories.

G. P. Johnson, C. Cramer, A. French, 2012, Carbohydrate research.

Comparison of different force fields for the study of disaccharides.

G. P. Johnson, A. French, G. Csonka, 2009, Carbohydrate research.

Relative stability of 1C4 and 4C1 chair forms of β-d-glucose: a density functional study

Krisztina Éliás, Imre G. Csizmadia, I. Csizmadia, 1996 .

UPS and quantum-chemical study of compounds containing SiNCX (X=0, S) groups

Tibor Pasinszki, G. Csonka, L. Nyulászi, 1988 .

Fitting atomic correlation parameters for RECEP (rapid estimation of correlation energy from partial charges) method to estimate molecular correlation energies within chemical accuracy

Gábor I. Csonka, Sándor Kristyán, G. Csonka, 2001, J. Comput. Chem..

Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation.

Jakub Kaminský, G. Csonka, 2011, Journal of chemical theory and computation.

Simple tests for density functional methods

Gábor I. Csonka, István Kolossváry, Nam Anh Nguyen, 1997, J. Comput. Chem..

Vibrational properties of C20 isomers, a semi-empirical study

G. Csonka, L. Nemes, F. Varga, 1996 .

Comparison of ab initio and density functional methods for vibrational analysis of TeCl4

György M. Keserü, Attila Kovács, Gábor I. Csonka, 1998, J. Comput. Chem..

Density functional and post Hartree-Fock equilibrium geometries, potential energy surface and vibrational frequencies for methylamine

G. Csonka, L. Sztraka, 1995 .

Vibrational analysis of TeCl4. II. A Hartree–Fock, MP2, and density functional study

G. Csonka, A. Kovács, 1997 .

Analysis of the core‐repulsion functions used in AM1 and PM3 semiempirical calculations: Conformational analysis of ring systems

Gábor I. Csonka, G. Csonka, 1993, J. Comput. Chem..

Density functionals applied to biomolecules and their non-covalent interactions

G. Csonka, 2016 .