Igor A. Topol

Publication Activity (10 Years)

Years Active: 1994-2003
Publications (10 Years): 0

Publications

András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia
Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory. J. Comput. Chem. 24 (9) (2003)
Alexander V. Nemukhin, Bella L. Grigorenko, Igor A. Topol, Stanley K. Burt
Flexible effective fragment QM/MM method: Validation through the challenging tests. J. Comput. Chem. 24 (12) (2003)
L. Young, Igor A. Topol, A. A. Rashin, Stanley K. Burt
Building molecular charge distributions from fragments: Application to HIV-1 protease inhibitors. J. Comput. Chem. 18 (4) (1997)
Ann M. Schmiedekamp, Igor A. Topol, Stanley K. Burt, Holy Razafinjanahary, Henry Chemette, Timothy Pfalzgraff, Christopher J. Michejda
Triazene Proton Affinities: A Comparison between Density Functional, Hartree-Fock, and Post-Hartree-Fock Methods. J. Comput. Chem. 15 (8) (1994)