Search research articles
Contact Us
Filters
Showing results (31-40 of 184) with videos related to
Page
of 19
Sort By:
The Journal of Chemical Physics
|
November 28, 2012
On the suppression and significance of ghost transmission in electron transport modeling of single molecule junctions
Partha Pratim Pal, Barry D Dunietz
Journal of the American Chemical Society
|
February 13, 2010
Contact geometry symmetry dependence of field effect gating in single-molecule transistors
Trilisa M Perrine, Barry D Dunietz
The Journal of Chemical Physics
|
February 10, 2011
Bias effects on the electronic spectrum of a molecular bridge
Heidi Phillips, Alexander Prociuk, Barry D Dunietz
Journal of Chemical Theory and Computation
|
November 21, 2015
Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models
Shaohui Zheng, Eitan Geva, Barry D Dunietz
The Journal of Physical Chemistry. B
|
April 30, 2024
Antioxidative Triplet Excitation Energy Transfer in Bacterial Reaction Center Using a Screened Range Separated Hybrid Functional
Khadiza Begam, Huseyin Aksu, Barry D Dunietz
Journal of Chemical Theory and Computation
|
November 24, 2015
Calculating Off-Site Excitations in Symmetric Donor-Acceptor Systems via Time-Dependent Density Functional Theory with Range-Separated Density Functionals
Heidi Phillips, Eitan Geva, Barry D Dunietz
The Journal of Physical Chemistry. B
|
May 26, 2006
Hydrogen physisorption on the organic linker in metal organic frameworks: ab initio computational study
Miguel Wong, Corneliu Buda, Barry D Dunietz
The Journal of Chemical Physics
|
December 6, 2006
Benchmarking the performance of density functional theory based Green's function formalism utilizing different self-energy models in calculating electronic transmission through molecular systems
Alexander Prociuk, Ben Van Kuiken, Barry D Dunietz
Journal of the American Chemical Society
|
October 10, 2002
Characterization of the relevant excited states in the photodissociation of CO-ligated hemoglobin and myoglobin
Andreas Dreuw, Barry D Dunietz, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
October 1, 2025
Dielectric Anisotropy Mitigated by Hydrogen Bonding Governs the Driving Force of Charge Transport within Quinone Pairs in Photosynthetic Reaction Centers
Muhammet Erkan Köse, Roshan Khatri, Barry D Dunietz
Page
of 19
Search research articles
Search
Showing results (31-40 of 184) with videos related to
Sort By:
Page
of 19
The Journal of Chemical Physics
|
November 28, 2012
On the suppression and significance of ghost transmission in electron transport modeling of single molecule junctions
Partha Pratim Pal, Barry D Dunietz
Journal of the American Chemical Society
|
February 13, 2010
Contact geometry symmetry dependence of field effect gating in single-molecule transistors
Trilisa M Perrine, Barry D Dunietz
The Journal of Chemical Physics
|
February 10, 2011
Bias effects on the electronic spectrum of a molecular bridge
Heidi Phillips, Alexander Prociuk, Barry D Dunietz
Journal of Chemical Theory and Computation
|
November 21, 2015
Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models
Shaohui Zheng, Eitan Geva, Barry D Dunietz
The Journal of Physical Chemistry. B
|
April 30, 2024
Antioxidative Triplet Excitation Energy Transfer in Bacterial Reaction Center Using a Screened Range Separated Hybrid Functional
Khadiza Begam, Huseyin Aksu, Barry D Dunietz
Journal of Chemical Theory and Computation
|
November 24, 2015
Calculating Off-Site Excitations in Symmetric Donor-Acceptor Systems via Time-Dependent Density Functional Theory with Range-Separated Density Functionals
Heidi Phillips, Eitan Geva, Barry D Dunietz
The Journal of Physical Chemistry. B
|
May 26, 2006
Hydrogen physisorption on the organic linker in metal organic frameworks: ab initio computational study
Miguel Wong, Corneliu Buda, Barry D Dunietz
The Journal of Chemical Physics
|
December 6, 2006
Benchmarking the performance of density functional theory based Green's function formalism utilizing different self-energy models in calculating electronic transmission through molecular systems
Alexander Prociuk, Ben Van Kuiken, Barry D Dunietz
Journal of the American Chemical Society
|
October 10, 2002
Characterization of the relevant excited states in the photodissociation of CO-ligated hemoglobin and myoglobin
Andreas Dreuw, Barry D Dunietz, Martin Head-Gordon
The Journal of Physical Chemistry. A
|
October 1, 2025
Dielectric Anisotropy Mitigated by Hydrogen Bonding Governs the Driving Force of Charge Transport within Quinone Pairs in Photosynthetic Reaction Centers
Muhammet Erkan Köse, Roshan Khatri, Barry D Dunietz
Page
of 19