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Results:
1-8
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Results: 8
Authors:
Ferenczy, GG
Angyan, JA
Citation: Gg. Ferenczy et Ja. Angyan, Intra- and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP-NDDO method, J COMPUT CH, 22(14), 2001, pp. 1679-1690
Authors:
Gooding, SR
Winn, PJ
Maurer, RI
Ferenczy, GG
Miller, JR
Harris, JE
Griffiths, DV
Reynolds, CA
Citation: Sr. Gooding et al., Fully polarizable QM/MM calculations: An application to the nonbonded iodine-oxygen interaction in dimethyl-2-iodobenzoylphosphonate, J COMPUT CH, 21(6), 2000, pp. 478-482
Authors:
Ferenczy, GG
Parkanyi, L
Angyan, JG
Kalman, A
Hegedus, B
Citation: Gg. Ferenczy et al., Crystal and electronic structure of two polymorphic modifications of famotidine. An experimental and theoretical study, J MOL ST-TH, 503(1-2), 2000, pp. 73-79
Authors:
Csikos, E
Ferenczy, GG
Angyan, JG
Bocskei, Z
Simon, K
Gonczi, C
Hermecz, I
Citation: E. Csikos et al., Colour polymorphism of a bis(quinoxaline) compound, EUR J ORG C, (9), 1999, pp. 2119-2125
Authors:
Winn, PJ
Ferenczy, GG
Reynolds, CA
Citation: Pj. Winn et al., Towards improved force fields: III. Polarization through modified atomic charges, J COMPUT CH, 20(7), 1999, pp. 704-712
Authors:
Kadas, K
Ferenczy, GG
Citation: K. Kadas et Gg. Ferenczy, Electronic structure of doped fourfold coordinated amorphous semiconductors. Midgap states in amorphous carbon, THEOCHEM, 463(1-2), 1999, pp. 175-180
Authors:
Ferenczy, GG
Naray-Szabo, G
Varnai, P
Citation: Gg. Ferenczy et al., Quantum mechanical study of the hydride shift step in the xylose isomerasecatalytic reaction with the fragment self-consistent field method, INT J QUANT, 75(3), 1999, pp. 215-222
Authors:
Wu, JH
Winn, PJ
Ferenczy, GG
Reynolds, CA
Citation: Jh. Wu et al., Solute polarization and the design of cobalt complexes as redox-active therapeutic agents, INT J QUANT, 73(2), 1999, pp. 229-236
Risultati:
1-8
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