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S Hofer

Showing results (21-30 of 310) with videos related to

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The 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 Rode
Physical 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 Hofer
Schweizerische Medizinische Wochenschrift|October 9, 1999
[New aspects of interdisciplinary therapy for malignant gliomas in adults]S Hofer, U Roelcke, R Herrmann
The 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 Hünenberger
The 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 Hofer
Journal of Chemical Theory and Computation|November 22, 2015
Combining 2d-Periodic Quantum Chemistry with Molecular Force Fields: A Novel QM/MM Procedure for the Treatment of Solid-State Surfaces and InterfacesThomas S Hofer, Andreas O Tirler
Journal of Computational Chemistry|March 3, 2022
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approachesHans Georg Gallmetzer, Thomas S Hofer
Journal of Computational Chemistry|November 27, 2016
Conserving the linear momentum in stochastic dynamics: Dissipative particle dynamics as a general strategy to achieve local thermostatization in molecular dynamics simulationsPeter P Passler, Thomas S Hofer
Dalton Transactions (Cambridge, England : 2003)|March 3, 2016
The structural influence of Ca(2+) counter-ions on uranyl(VI) tricarbonate in aqueous solutionAndreas O Tirler, Thomas S Hofer
Minerva Pediatrica|June 26, 2012
Insulin pump treatment in children and adolescents with type 1 diabetesS Hofer, D Meraner, J Koehle
Pageof 31

Showing results (21-30 of 310) with videos related to

Sort By:
Pageof 31
The 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 Rode
Physical 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 Hofer
Schweizerische Medizinische Wochenschrift|October 9, 1999
[New aspects of interdisciplinary therapy for malignant gliomas in adults]S Hofer, U Roelcke, R Herrmann
The 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 Hünenberger
The 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 Hofer
Journal of Chemical Theory and Computation|November 22, 2015
Combining 2d-Periodic Quantum Chemistry with Molecular Force Fields: A Novel QM/MM Procedure for the Treatment of Solid-State Surfaces and InterfacesThomas S Hofer, Andreas O Tirler
Journal of Computational Chemistry|March 3, 2022
Probing the range of applicability of structure- and energy-adjusted QM/MM link bonds II: Optimized link bond parameters for density functional tight binding approachesHans Georg Gallmetzer, Thomas S Hofer
Journal of Computational Chemistry|November 27, 2016
Conserving the linear momentum in stochastic dynamics: Dissipative particle dynamics as a general strategy to achieve local thermostatization in molecular dynamics simulationsPeter P Passler, Thomas S Hofer
Dalton Transactions (Cambridge, England : 2003)|March 3, 2016
The structural influence of Ca(2+) counter-ions on uranyl(VI) tricarbonate in aqueous solutionAndreas O Tirler, Thomas S Hofer
Minerva Pediatrica|June 26, 2012
Insulin pump treatment in children and adolescents with type 1 diabetesS Hofer, D Meraner, J Koehle
Pageof 31