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The Journal of Physical Chemistry. B
|
March 29, 2007
Calculation of redox properties: understanding short- and long-range effects in rubredoxin
Marialore Sulpizi, Simone Raugei, Joost VandeVondele, et al.
Physical Review Letters
|
November 26, 2019
Simulating Electrochemical Systems by Combining the Finite Field Method with a Constant Potential Electrode
Thomas Dufils, Guillaume Jeanmairet, Benjamin Rotenberg, et al.
Supportive Care in Cancer : Official Journal of the Multinational Association of Supportive Care in Cancer
|
September 7, 2018
Using patient-reported religious/spiritual concerns to identify patients who accept chaplain interventions in an outpatient oncology setting
Petra J Sprik, Kendall Walsh, Danielle M Boselli, et al.
Accounts of Chemical Research
|
November 4, 2014
Redox potentials and acidity constants from density functional theory based molecular dynamics
Jun Cheng, Xiandong Liu, Joost VandeVondele, et al.
Journal of Health Care Chaplaincy
|
January 24, 2022
Chaplains and telechaplaincy: best practices, strengths, weaknesses-a national study
Petra J Sprik, Angela Janssen Keenan, Danielle Boselli, et al.
Angewandte Chemie (International Ed. in English)
|
July 25, 2014
Aligning electronic and protonic energy levels of proton-coupled electron transfer in water oxidation on aqueous TiO₂
Jun Cheng, Xiandong Liu, John A Kattirtzi, et al.
Journal of Chemical Theory and Computation
|
August 16, 2020
Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO<sub>2</sub>(110)/H<sub>2</sub>O Interface
Mei Jia, Chao Zhang, Stephen J Cox, et al.
The Journal of Chemical Physics
|
January 11, 2005
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
Joost VandeVondele, Fawzi Mohamed, Matthias Krack, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Absolute pKa Values and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation
Martina Mangold, Leslie Rolland, Francesca Costanzo, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water
Christopher Adriaanse, Jun Cheng, Vincent Chau, et al.
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of 9
Search research articles
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Showing results (61-70 of 83) with videos related to
Sort By:
Page
of 9
The Journal of Physical Chemistry. B
|
March 29, 2007
Calculation of redox properties: understanding short- and long-range effects in rubredoxin
Marialore Sulpizi, Simone Raugei, Joost VandeVondele, et al.
Physical Review Letters
|
November 26, 2019
Simulating Electrochemical Systems by Combining the Finite Field Method with a Constant Potential Electrode
Thomas Dufils, Guillaume Jeanmairet, Benjamin Rotenberg, et al.
Supportive Care in Cancer : Official Journal of the Multinational Association of Supportive Care in Cancer
|
September 7, 2018
Using patient-reported religious/spiritual concerns to identify patients who accept chaplain interventions in an outpatient oncology setting
Petra J Sprik, Kendall Walsh, Danielle M Boselli, et al.
Accounts of Chemical Research
|
November 4, 2014
Redox potentials and acidity constants from density functional theory based molecular dynamics
Jun Cheng, Xiandong Liu, Joost VandeVondele, et al.
Journal of Health Care Chaplaincy
|
January 24, 2022
Chaplains and telechaplaincy: best practices, strengths, weaknesses-a national study
Petra J Sprik, Angela Janssen Keenan, Danielle Boselli, et al.
Angewandte Chemie (International Ed. in English)
|
July 25, 2014
Aligning electronic and protonic energy levels of proton-coupled electron transfer in water oxidation on aqueous TiO₂
Jun Cheng, Xiandong Liu, John A Kattirtzi, et al.
Journal of Chemical Theory and Computation
|
August 16, 2020
Computing Surface Acidity Constants of Proton Hopping Groups from Density Functional Theory-Based Molecular Dynamics: Application to the SnO<sub>2</sub>(110)/H<sub>2</sub>O Interface
Mei Jia, Chao Zhang, Stephen J Cox, et al.
The Journal of Chemical Physics
|
January 11, 2005
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
Joost VandeVondele, Fawzi Mohamed, Matthias Krack, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Absolute pKa Values and Solvation Structure of Amino Acids from Density Functional Based Molecular Dynamics Simulation
Martina Mangold, Leslie Rolland, Francesca Costanzo, et al.
The Journal of Physical Chemistry Letters
|
August 21, 2015
Aqueous Redox Chemistry and the Electronic Band Structure of Liquid Water
Christopher Adriaanse, Jun Cheng, Vincent Chau, et al.
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of 9