Journal of Chemical Theory and Computation

Journal Abbreviation: J CHEM THEORY COMPUT
ISSN: 1549-9618
Publisher: American Chemical Society



Publications

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Journal issue: 5, Volume: 14, Pages range: 2784-2796
Hydration Structure and Dynamics of Inhibitor-Bound HIV-1 Protease. (2018)
Leidner F, Kurt YN, Paulsen J, et al.

Journal issue: 1, Volume: 13, Pages range: 274-285
Accurate Intermolecular Potential for the C-60 Dimer: The Performance of Different Levels of Quantum Theory (2017)
Sharapa D, Margraf JT, Heßelmann A, et al.

Journal issue: 1, Volume: 11, Pages range: 147--156
Low-Lying Electronic Excited States of Pentacene Oligomers: A Comparative Electronic Structure Study in the Context of Singlet Fission (2015)
Brana Coto P, Sharifzadeh S, Neaton JB, et al.

Journal issue: 8, Volume: 10, Pages range: 3270-3279
Calculating CD Spectra of Flexible Peptides: An Assessment of TD-DFT Functionals (2014)
Brkljaca Z, Malis M, Smith DM, et al.

Journal issue: 2, Volume: 10, Pages range: 676-690
Going backward: A flexible geometric approach to reverse transformation from coarse grained to atomistic models (2014)
Wassenaar T, Pluhackova K, Böckmann R, et al.

Journal issue: 5, Volume: 9, Pages range: 2264-2275
Directional noncovalent interactions: Repulsion and dispersion (2013)
Elkerdawy A, Murray JS, Politzer P, et al.

Journal issue: 5, Volume: 8, Pages range: 1694-1705
Calculation of the CD Spectrum of a Peptide from Its Conformational Phase Space: The Case of Met-enkephalin and Its Unnatural Analogue (2012)
Brkljaca Z, Condic-Jurkic K, Smith AS, et al.

Journal issue: 4, Volume: 8, Pages range: 1459-1470
Optimization of the OPLS-AA force field for long hydrocarbons (2012)
Siu SWI, Pluhackova K, Böckmann R


Last updated on 2015-29-05 at 16:47