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Igor A. Topol

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Journal Articles

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2003
[j4]
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  - journals/jcc/PerczelFJTC03
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  - https://dblp.org/rec/journals/jcc/PerczelFJTC03
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): 1026-1042 (2003)
[j3]
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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): 1410-1420 (2003)
1997
[j2]
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  - journals/jcc/YoungTRB97
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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): 522-532 (1997)
1994
[j1]
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  - journals/jcc/SchmiedekampTBRCPM94
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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): 875-892 (1994)

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