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Journal of Computational Chemistry|August 4, 2015
Probing the range of applicability of structure- and energy-adjusted QM/MM link bondsManuel Hitzenberger, Thomas S HoferJournal of Chemical Theory and Computation|October 19, 2018
Structure, Dynamics, and Hydration Free Energy of Carbon Dioxide in Aqueous Solution: A Quantum Mechanical/Molecular Mechanics Molecular Dynamics Thermodynamic Integration (QM/MM MD TI) Simulation StudyNiko Prasetyo, Thomas S HoferDalton Transactions (Cambridge, England : 2003)|August 30, 2018
Square planar or octahedral after all? The indistinct solvation of platinum(ii)Muhammad Saleh, Thomas S HoferThe Journal of Physical Chemistry. B|August 27, 2014
Structure and dynamics of the uranyl tricarbonate complex in aqueous solution: insights from quantum mechanical charge field molecular dynamicsAndreas O Tirler, Thomas S HoferMolecular Biosystems|May 20, 2016
Zinc- and copper-porphyrins in aqueous solution - two similar complexes with strongly contrasting hydrationSyed Tarique Moin, Thomas S HoferThe Journal of Chemical Physics|September 28, 2004
The solvation structure of Pb(II) in dilute aqueous solution: an ab initio quantum mechanical/molecular mechanical molecular dynamics approachThomas S Hofer, Bernd M RodePhysical Chemistry Chemical Physics : PCCP|November 1, 2014
Hydration of the cyanide ion: an ab initio quantum mechanical charge field molecular dynamics studySyed Tarique Moin, Thomas S HoferSchweizerische Medizinische Wochenschrift|October 9, 1999
[New aspects of interdisciplinary therapy for malignant gliomas in adults]S Hofer, U Roelcke, R HerrmannThe Journal of Chemical Physics|June 17, 2018
Absolute proton hydration free energy, surface potential of water, and redox potential of the hydrogen electrode from first principles: QM/MM MD free-energy simulations of sodium and potassium hydrationThomas S Hofer, Philippe H HünenbergerThe Journal of Physical Chemistry. B|June 20, 2015
A Comparative Study of [CaEDTA](2-) and [MgEDTA](2-): Structural and Dynamical Insights from Quantum Mechanical Charge Field Molecular DynamicsAndreas O Tirler, Thomas S HoferPageof 440