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INCLUSION OF EXACT EXCHANGE FOR SELF-INTERACTION-CORRECTED H-3 DENSITY-FUNCTIONAL POTENTIAL-ENERGY SURFACE
Authors: CSONKA GI JOHNSON BG
Citation: Gi. Csonka et Bg. Johnson, INCLUSION OF EXACT EXCHANGE FOR SELF-INTERACTION-CORRECTED H-3 DENSITY-FUNCTIONAL POTENTIAL-ENERGY SURFACE, Theoretical chemistry accounts, 99(3), 1998, pp. 158-165
THEORETICAL-STUDY OF ALTERNATIVE RING FORMS OF ALPHA-L-FUCOPYRANOSE
Authors: CSONKA GI ELIAS K KOLOSSVARY I SOSA CP CSIZMADIA IG
Citation: Gi. Csonka et al., THEORETICAL-STUDY OF ALTERNATIVE RING FORMS OF ALPHA-L-FUCOPYRANOSE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(7), 1998, pp. 1219-1229
COMPARISON OF AB-INITIO AND DENSITY-FUNCTIONAL METHODS FOR VIBRATIONAL ANALYSIS OF TECL4
Authors: KOVACS A CSONKA GI KESERU GM
Citation: A. Kovacs et al., COMPARISON OF AB-INITIO AND DENSITY-FUNCTIONAL METHODS FOR VIBRATIONAL ANALYSIS OF TECL4, Journal of computational chemistry, 19(3), 1998, pp. 308-318
QUANTUM MECHANICAL MOLECULAR MECHANICAL SELF-CONSISTENT MADELUNG POTENTIAL METHOD FOR TREATMENT OF POLAR MOLECULAR-CRYSTALS/
Authors: FERENCZY GG CSONKA GI NARAYSZABO G ANGYAN JG
Citation: Gg. Ferenczy et al., QUANTUM MECHANICAL MOLECULAR MECHANICAL SELF-CONSISTENT MADELUNG POTENTIAL METHOD FOR TREATMENT OF POLAR MOLECULAR-CRYSTALS/, Journal of computational chemistry, 19(1), 1998, pp. 38-50
RELATIVE STABILITY AND STRUCTURE OF DIHYDRO-1,2,4-TRIAZINES - A THEORETICAL-STUDY
Authors: NAGY J NYITRAI J VAGO I CSONKA GI
Citation: J. Nagy et al., RELATIVE STABILITY AND STRUCTURE OF DIHYDRO-1,2,4-TRIAZINES - A THEORETICAL-STUDY, Journal of organic chemistry, 63(17), 1998, pp. 5824-5830
AB-INITIO AND DENSITY-FUNCTIONAL STUDY OF THE CONFORMATIONAL SPACE OFC-1(4) (ALPHA-L-FUCOSE)
Authors: CSONKA GI ELIAS K CSIZMADIA IG
Citation: Gi. Csonka et al., AB-INITIO AND DENSITY-FUNCTIONAL STUDY OF THE CONFORMATIONAL SPACE OFC-1(4) (ALPHA-L-FUCOSE), Journal of computational chemistry, 18(3), 1997, pp. 330-342
SIMPLE TESTS FOR DENSITY-FUNCTIONAL METHODS
Authors: CSONKA GI NGUYEN NA KOLOSSVARY I
Citation: Gi. Csonka et al., SIMPLE TESTS FOR DENSITY-FUNCTIONAL METHODS, Journal of computational chemistry, 18(12), 1997, pp. 1534-1545
THE CONFORMATIONAL SPACE OF SELECTED ALDO-PYRANO-HEXOSES
Authors: CSONKA GI KOLOSSVARY I CSASZAR P ELIAS K CSIZMADIA IG
Citation: Gi. Csonka et al., THE CONFORMATIONAL SPACE OF SELECTED ALDO-PYRANO-HEXOSES, Journal of molecular structure. Theochem, 395, 1997, pp. 29-40
THE ORIGIN OF THE PROBLEMS WITH THE PM3 CORE REPULSION FUNCTION
Authors: CSONKA GI ANGYAN JG
Citation: Gi. Csonka et Jg. Angyan, THE ORIGIN OF THE PROBLEMS WITH THE PM3 CORE REPULSION FUNCTION, Journal of molecular structure. Theochem, 393, 1997, pp. 31-38
PEPTIDE MODELS .15. 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
Authors: ENDREDI G PERCZEL A FARKAS O MCALLISTER MA CSONKA GI LADIK J CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .15. 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, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 15-26
FLEXIBLE AB-INITIO GEOMETRY OF METHYLAMINE AND ITS INTERNAL-ROTATION
Authors: SZTRAKA L CSONKA GI
Citation: L. Sztraka et Gi. Csonka, FLEXIBLE AB-INITIO GEOMETRY OF METHYLAMINE AND ITS INTERNAL-ROTATION, Journal of molecular structure, 410, 1997, pp. 387-390
VIBRATIONAL ANALYSIS OF TECL4 .2. A HARTREE-FOCK, MP2, AND DENSITY-FUNCTIONAL STUDY
Authors: KOVACS A CSONKA GI
Citation: A. Kovacs et Gi. Csonka, VIBRATIONAL ANALYSIS OF TECL4 .2. A HARTREE-FOCK, MP2, AND DENSITY-FUNCTIONAL STUDY, International journal of quantum chemistry, 65(5), 1997, pp. 817-826
THE STRUCTURE OF 1-CHLOROSILATRANE - AN AB-INITIO MOLECULAR-ORBITAL AND A DENSITY-FUNCTIONAL THEORY STUDY
Authors: CSONKA GI HENCSEI P
Citation: Gi. Csonka et P. Hencsei, THE STRUCTURE OF 1-CHLOROSILATRANE - AN AB-INITIO MOLECULAR-ORBITAL AND A DENSITY-FUNCTIONAL THEORY STUDY, Journal of computational chemistry, 17(7), 1996, pp. 767-780
THEORETICAL-STUDY OF INTRAMOLECULAR HYDROGEN-BONDING AND MOLECULAR-GEOMETRY OF 2-TRIFLUOROMETHYLPHENOL
Authors: KOVACS A KOLOSSVARY I CSONKA GI HARGITTAI I
Citation: A. Kovacs et al., THEORETICAL-STUDY OF INTRAMOLECULAR HYDROGEN-BONDING AND MOLECULAR-GEOMETRY OF 2-TRIFLUOROMETHYLPHENOL, Journal of computational chemistry, 17(16), 1996, pp. 1804-1819
PREDICTION OF GEOMETRICAL PARAMETERS FOR SILATRANES - AN AB-INITIO MOLECULAR-ORBITAL AND DENSITY-FUNCTIONAL THEORY STUDY
Authors: CSONKA GI HENCSEI P
Citation: Gi. Csonka et P. Hencsei, PREDICTION OF GEOMETRICAL PARAMETERS FOR SILATRANES - AN AB-INITIO MOLECULAR-ORBITAL AND DENSITY-FUNCTIONAL THEORY STUDY, Journal of molecular structure. Theochem, 362(2), 1996, pp. 199-208
VIBRATIONAL PROPERTIES OF C-20 ISOMERS, A SEMIEMPIRICAL STUDY
Authors: VARGA F NEMES L CSONKA GI
Citation: F. Varga et al., VIBRATIONAL PROPERTIES OF C-20 ISOMERS, A SEMIEMPIRICAL STUDY, Journal of molecular structure, 376, 1996, pp. 513-523
RELATIVE STABILITY OF C-1(4) AND C-4(1) CHAIR FORMS OF BETA-D-GLUCOSE- A DENSITY-FUNCTIONAL STUDY
Authors: CSONKA GI ELIAS K CSIZMADIA IG
Citation: Gi. Csonka et al., RELATIVE STABILITY OF C-1(4) AND C-4(1) CHAIR FORMS OF BETA-D-GLUCOSE- A DENSITY-FUNCTIONAL STUDY, Chemical physics letters, 257(1-2), 1996, pp. 49-60
THE PHOTOELECTRON-SPECTRUM AND CONFORMATION OF PHENYLPHOSPHINE AND PHENYLARSINE
Authors: NYULASZI L SZIEBERTH D CSONKA GI REFFY J HEINICKE J VESZPREMI T
Citation: L. Nyulaszi et al., THE PHOTOELECTRON-SPECTRUM AND CONFORMATION OF PHENYLPHOSPHINE AND PHENYLARSINE, Structural chemistry, 6(1), 1995, pp. 1-7
THE FAILURE OF THE MO-BASED THEORETICAL EXPLANATIONS FOR BENDING OF DISILOXANE
Authors: CSONKA GI REFFY J
Citation: Gi. Csonka et J. Reffy, THE FAILURE OF THE MO-BASED THEORETICAL EXPLANATIONS FOR BENDING OF DISILOXANE, Journal of molecular structure. Theochem, 332(3), 1995, pp. 187-188
AB-INITIO AND DFT INVESTIGATIONS OF INTRAMOLECULAR HYDROGEN-BONDING IN 1,2-ETHANEDIOL
Authors: CSONKA GI ANH N ANGYAN J CSIZMADIA IG
Citation: Gi. Csonka et al., AB-INITIO AND DFT INVESTIGATIONS OF INTRAMOLECULAR HYDROGEN-BONDING IN 1,2-ETHANEDIOL, Chemical physics letters, 245(1), 1995, pp. 129-135
DENSITY-FUNCTIONAL CONFORMATIONAL-ANALYSIS OF 1,2-ETHANEDIOL
Authors: CSONKA GI CSIZMADIA IG
Citation: Gi. Csonka et Ig. Csizmadia, DENSITY-FUNCTIONAL CONFORMATIONAL-ANALYSIS OF 1,2-ETHANEDIOL, Chemical physics letters, 243(5-6), 1995, pp. 419-428
DENSITY-FUNCTIONAL AND POST-HARTREE-FOCK EQUILIBRIUM GEOMETRIES, POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FREQUENCIES FOR METHYLAMINE
Authors: CSONKA GI SZTRAKA L
Citation: Gi. Csonka et L. Sztraka, DENSITY-FUNCTIONAL AND POST-HARTREE-FOCK EQUILIBRIUM GEOMETRIES, POTENTIAL-ENERGY SURFACE AND VIBRATIONAL FREQUENCIES FOR METHYLAMINE, Chemical physics letters, 233(5-6), 1995, pp. 611-618
STRUCTURE OF DISILOXANE - A SEMIEMPIRICAL AND POST-HARTREE-FOCK STUDY
Authors: CSONKA GI ERDOSY M REFFY J
Citation: Gi. Csonka et al., STRUCTURE OF DISILOXANE - A SEMIEMPIRICAL AND POST-HARTREE-FOCK STUDY, Journal of computational chemistry, 15(9), 1994, pp. 925-936
AB-INITIO MOLECULAR-ORBITAL STUDY OF 1-FLUOROSILATRANE
Authors: CSONKA GI HENCSEI P
Citation: Gi. Csonka et P. Hencsei, AB-INITIO MOLECULAR-ORBITAL STUDY OF 1-FLUOROSILATRANE, Journal of computational chemistry, 15(4), 1994, pp. 385-394
AB-INITIO GEOMETRY OPTIMIZATION OF THE CL-S(H)OH-CL UNEVEN SULFURANE WITH THE INCLUSION OF ELECTRON CORRELATION
Authors: CSONKA GI LOOS M KUCSMAN A CSIZMADIA IG
Citation: Gi. Csonka et al., AB-INITIO GEOMETRY OPTIMIZATION OF THE CL-S(H)OH-CL UNEVEN SULFURANE WITH THE INCLUSION OF ELECTRON CORRELATION, Journal of molecular structure. Theochem, 121, 1994, pp. 29-33
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