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Journal of Chemical Theory and Computation|December 4, 2015
A Consistent Force Field for the Carboxylate GroupMaxim Tafipolsky, Rochus SchmidThe Journal of Chemical Physics|May 13, 2006
A general and efficient pseudopotential Fourier filtering scheme for real space methods using mask functionsMaxim Tafipolsky, Rochus SchmidJournal of the American Chemical Society|August 30, 2008
An accurate force field model for the strain energy analysis of the covalent organic framework COF-102Rochus Schmid, Maxim TafipolskyThe Journal of Physical Chemistry. B|January 13, 2009
Systematic first principles parameterization of force fields for metal-organic frameworks using a genetic algorithm approachMaxim Tafipolsky, Rochus SchmidJournal of Computational Chemistry|February 16, 2007
Ab initio parametrized MM3 force field for the metal-organic framework MOF-5Maxim Tafipolsky, Saeed Amirjalayer, Rochus SchmidThe Journal of Physical Chemistry Letters|August 16, 2015
Surface Termination of the Metal-Organic Framework HKUST-1: A Theoretical InvestigationSaeed Amirjalayer, Maxim Tafipolsky, Rochus SchmidPhysical Chemistry Chemical Physics : PCCP|June 10, 2010
A novel method to measure diffusion coefficients in porous metal-organic frameworksOlexandra Zybaylo, Osama Shekhah, Hui Wang, et al.The Journal of Physical Chemistry. A|June 15, 2016
Challenging Dogmas: Hydrogen Bond RevisitedMaxim TafipolskyJournal of Chemical Theory and Computation|November 25, 2015
Accurate Intermolecular Potentials with Physically Grounded ElectrostaticsMaxim Tafipolsky, Bernd EngelsJournal of Chemical Theory and Computation|January 29, 2016
Toward a Physically Motivated Force Field: Hydrogen Bond Directionality from a Symmetry-Adapted Perturbation Theory PerspectiveMaxim Tafipolsky, Kay AnsorgPageof 6