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Alisa Krishtal

University of Antwerp

Publication

Featured researches published by Alisa Krishtal.

Bioorganic & Medicinal Chemistry Letters | 2007

Dipeptidyl α-fluorovinyl Michael acceptors : Synthesis and activity against cysteine proteases

Ibrahim El-Sayed; Pieter Van der Veken; Alisa Krishtal; Christian Van Alsenoy; Gareth D. Westrop; Jeremy C. Mottram; Graham H. Coombs; Koen Augustyns; Achiel Haemers

Journal of Chemical Physics | 2009

Local softness, softness dipole, and polarizabilities of functional groups: Application to the side chains of the 20 amino acids

Alisa Krishtal; Patrick Senet; Christian Van Alsenoy

Physical Review A | 2011

Importance of anisotropy in the evaluation of dispersion interactions

Alisa Krishtal; D. Geldof; C. Van Alsenoy; K. Vannomeslaeghe; Paul Geerlings

Bulletin of the American Physical Society | 2016

An Open Source Embedding Code for the Condensed Phase

Alessandro Genova; Davide Ceresoli; Alisa Krishtal; Oliviero Andreussi; Robert A. DiStasio; Michele Pavanello

Bulletin of the American Physical Society | 2016

Revealing Open Quantum Systems with Subsystem DFT

Alisa Krishtal; Michele Pavanello

Bulletin of the American Physical Society | 2016

Correcting for the Self-Interaction Error in Ab-Initio Molecular Dynamics Simulations

Alessandro Genova; Davide Ceresoli; Alisa Krishtal; Michele Pavanello

Journal of Mathematical Chemistry | 2011

Exchange energy density definitions from the optimized exchange-force, exemplified for non-relativistic Ne- and Ar-like atomic ions in the limit of large nuclear charge

N. H. March; Alisa Krishtal; C. Van Alsenoy; J. D. Talman

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