Daniel P. Vercauteren

机构：University of Zakho · ORCID：0000-0002-6164-8551

发表论文 253 篇 · 总被引 2147 次 · h-index 23

代表论文

Systematic hierarchical coarse-graining with the inverse Monte Carlo method (2015 · The Journal of Chemical Physics · 被引 39)
A Solvent-Mediated Coarse-Grained Model of DNA Derived with the Systematic Newton Inversion Method (2014 · Journal of Chemical Theory and Computation · 被引 38)
Investigation of ESIPT in a panel of chromophores presenting N–H⋯N intramolecular hydrogen bonds (2014 · Physical Chemistry Chemical Physics · 被引 26)
Parameterization of the ReaxFF reactive force field for a proline-catalyzed aldol reaction (2016 · Journal of Computational Chemistry · 被引 22)
A Coarse-Grained Simulation Study of the Structures, Energetics, and Dynamics of Linear and Circular DNA with Its Ions (2015 · Journal of Chemical Theory and Computation · 被引 21)
Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium–enamine conversion in a proline-catalyzed reaction (2012 · Theoretical Chemistry Accounts · 被引 17)