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The Journal of Physical Chemistry. B
|
October 19, 2023
Storage and Diffusion of Carbon Dioxide in the Metal Organic Framework MOF-5─A Semi-empirical Molecular Dynamics Study
Risnita Vicky Listyarini, Jakob Gamper, Thomas S Hofer
The Journal of Physical Chemistry. B
|
November 19, 2019
Hydration of Closely Related Manganese and Magnesium Porphyrins in Aqueous Solutions: Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation Study
Zobia Naz, Syed Tarique Moin, Thomas S Hofer
Journal of Chemical Theory and Computation
|
November 24, 2015
Combining a Dissociative Water Model with a Hybrid QM/MM Approach-A Simulation Strategy for the Study of Proton Transfer Reactions in Solution
Thomas S Hofer, Manuel Hitzenberger, Bernhard R Randolf
Physical Chemistry Chemical Physics : PCCP
|
March 31, 2015
Tuning the reactivity of a dissociative force field: proton transfer properties of aqueous H3O(+) and their dependence on the three-body interaction
Martin J Wiedemair, Manuel Hitzenberger, Thomas S Hofer
Annals of Oncology : Official Journal of the European Society for Medical Oncology
|
July 29, 1998
Veno-occlusive disease of the liver induced by gemcitabine
M Dobbie, S Hofer, M Oberholzer, et al.
Journal of Chemical Theory and Computation
|
October 5, 2018
Single-Ion Thermodynamics from First Principles: Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li<sup>+</sup> Using ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations
Niko Prasetyo, Philippe H Hünenberger, Thomas S Hofer
Schweizerische Medizinische Wochenschrift
|
July 22, 1997
[The "pinch off" syndrome: a complication of implantable catheter systems in the subclavian vein]
S Hofer, K Schnabel, P Vogelbach, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2015
Remarkable conformational flexibility of aqueous 18-crown-6 and its strontium(II) complex-ab initio molecular dynamics simulations
Lorenz R Canaval, Saprizal Hadisaputra, Thomas S Hofer
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2008
Local density corrected three-body distribution functions for probing local structure reorganization in liquids
Anirban Bhattacharjee, Thomas S Hofer, Bernd M Rode
Journal of Chemical Information and Modeling
|
April 28, 2025
Revealing New Insights into the Dynamics of Human Aromatase Interacting with Cytochrome P450 Reductase in a Realistic Membrane Environment
Sana Manzoor, Thomas S Hofer, Syed Tarique Moin
Page
of 31
Search research articles
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Showing results (51-60 of 310) with videos related to
Sort By:
Page
of 31
The Journal of Physical Chemistry. B
|
October 19, 2023
Storage and Diffusion of Carbon Dioxide in the Metal Organic Framework MOF-5─A Semi-empirical Molecular Dynamics Study
Risnita Vicky Listyarini, Jakob Gamper, Thomas S Hofer
The Journal of Physical Chemistry. B
|
November 19, 2019
Hydration of Closely Related Manganese and Magnesium Porphyrins in Aqueous Solutions: Ab Initio Quantum Mechanical Charge Field Molecular Dynamics Simulation Study
Zobia Naz, Syed Tarique Moin, Thomas S Hofer
Journal of Chemical Theory and Computation
|
November 24, 2015
Combining a Dissociative Water Model with a Hybrid QM/MM Approach-A Simulation Strategy for the Study of Proton Transfer Reactions in Solution
Thomas S Hofer, Manuel Hitzenberger, Bernhard R Randolf
Physical Chemistry Chemical Physics : PCCP
|
March 31, 2015
Tuning the reactivity of a dissociative force field: proton transfer properties of aqueous H3O(+) and their dependence on the three-body interaction
Martin J Wiedemair, Manuel Hitzenberger, Thomas S Hofer
Annals of Oncology : Official Journal of the European Society for Medical Oncology
|
July 29, 1998
Veno-occlusive disease of the liver induced by gemcitabine
M Dobbie, S Hofer, M Oberholzer, et al.
Journal of Chemical Theory and Computation
|
October 5, 2018
Single-Ion Thermodynamics from First Principles: Calculation of the Absolute Hydration Free Energy and Single-Electrode Potential of Aqueous Li<sup>+</sup> Using ab Initio Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations
Niko Prasetyo, Philippe H Hünenberger, Thomas S Hofer
Schweizerische Medizinische Wochenschrift
|
July 22, 1997
[The "pinch off" syndrome: a complication of implantable catheter systems in the subclavian vein]
S Hofer, K Schnabel, P Vogelbach, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2015
Remarkable conformational flexibility of aqueous 18-crown-6 and its strontium(II) complex-ab initio molecular dynamics simulations
Lorenz R Canaval, Saprizal Hadisaputra, Thomas S Hofer
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2008
Local density corrected three-body distribution functions for probing local structure reorganization in liquids
Anirban Bhattacharjee, Thomas S Hofer, Bernd M Rode
Journal of Chemical Information and Modeling
|
April 28, 2025
Revealing New Insights into the Dynamics of Human Aromatase Interacting with Cytochrome P450 Reductase in a Realistic Membrane Environment
Sana Manzoor, Thomas S Hofer, Syed Tarique Moin
Page
of 31