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The Journal of Physical Chemistry Letters
|
March 4, 2020
Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory
Jo M Pi, Martina Stella, Nathalie K Fernando, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 21, 2016
Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory
E W Tait, L E Ratcliff, M C Payne, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2022
Probing disorder in 2CzPN using core and valence states
Nathalie K Fernando, Martina Stella, William Dawson, et al.
Current Opinion in Biotechnology
|
October 23, 2019
Designing a bioremediator: mechanistic models guide cellular and molecular specialization
Marco Zaccaria, William Dawson, Viviana Cristiglio, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods
Laura E Ratcliff, Luca Grisanti, Luigi Genovese, et al.
AIDS Education and Prevention : Official Publication of the International Society for AIDS Education
|
November 7, 2024
Investigating the Invisible: Protocol for a Randomized Controlled Pilot Study Testing the Entertainment-Education Model to Provide a PrEP Education Intervention to Kink-Involved Populations
Richard A Sprott, Kaston D Anderson, Erik Wert, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
February 10, 2026
Influence of Hydrogen-Incorporation on the Bulk Electronic Structure and Chemical Bonding in Palladium
Lars J Bannenberg, Fernando García-Martínez, Patrick Lömker, et al.
AMIA ... Annual Symposium Proceedings. AMIA Symposium
|
January 15, 2024
Integrating Clinical and Air Quality Data to Improve Prediction of COPD Exacerbations
Grace E Ratcliff, Michael E Matheny, Jeremiah R Brown, et al.
The Journal of Physical Chemistry. A
|
August 23, 2021
Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts
Nathalie K Fernando, Andrew B Cairns, Claire A Murray, et al.
Chemical Science
|
May 30, 2017
Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer
Kenley M Pelzer, Álvaro Vázquez-Mayagoitia, Laura E Ratcliff, et al.
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Search research articles
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Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry Letters
|
March 4, 2020
Predicting Core Level Photoelectron Spectra of Amino Acids Using Density Functional Theory
Jo M Pi, Martina Stella, Nathalie K Fernando, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
April 21, 2016
Simulation of electron energy loss spectra of nanomaterials with linear-scaling density functional theory
E W Tait, L E Ratcliff, M C Payne, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 21, 2022
Probing disorder in 2CzPN using core and valence states
Nathalie K Fernando, Martina Stella, William Dawson, et al.
Current Opinion in Biotechnology
|
October 23, 2019
Designing a bioremediator: mechanistic models guide cellular and molecular specialization
Marco Zaccaria, William Dawson, Viviana Cristiglio, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods
Laura E Ratcliff, Luca Grisanti, Luigi Genovese, et al.
AIDS Education and Prevention : Official Publication of the International Society for AIDS Education
|
November 7, 2024
Investigating the Invisible: Protocol for a Randomized Controlled Pilot Study Testing the Entertainment-Education Model to Provide a PrEP Education Intervention to Kink-Involved Populations
Richard A Sprott, Kaston D Anderson, Erik Wert, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
February 10, 2026
Influence of Hydrogen-Incorporation on the Bulk Electronic Structure and Chemical Bonding in Palladium
Lars J Bannenberg, Fernando García-Martínez, Patrick Lömker, et al.
AMIA ... Annual Symposium Proceedings. AMIA Symposium
|
January 15, 2024
Integrating Clinical and Air Quality Data to Improve Prediction of COPD Exacerbations
Grace E Ratcliff, Michael E Matheny, Jeremiah R Brown, et al.
The Journal of Physical Chemistry. A
|
August 23, 2021
Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts
Nathalie K Fernando, Andrew B Cairns, Claire A Murray, et al.
Chemical Science
|
May 30, 2017
Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer
Kenley M Pelzer, Álvaro Vázquez-Mayagoitia, Laura E Ratcliff, et al.
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of 4