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Journal of Molecular Modeling
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April 9, 2015
Addition of ethylene to a π-conjugated two-dimensional nickel-based organometallic framework with implications for olefin separation
Salvador Moncho, Edward N Brothers, Michael B Hall
The Journal of Chemical Physics
|
February 8, 2006
Coaxial carbon nanotubes as shielded nanowires
Edward N Brothers, Gustavo E Scuseria, Konstantin N Kudin
The Journal of Physical Chemistry. B
|
June 30, 2006
Longitudinal polarizability of carbon nanotubes
Edward N Brothers, Gustavo E Scuseria, Konstantin N Kudin
The Journal of Chemical Physics
|
December 21, 2006
Linear-scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems
Artur F Izmaylov, Edward N Brothers, Gustavo E Scuseria
Dalton Transactions (Cambridge, England : 2003)
|
August 2, 2016
A unified set of experimental organometallic data used to evaluate modern theoretical methods
Rajesh K Raju, Ashfaq A Bengali, Edward N Brothers
ACS Applied Materials & Interfaces
|
April 14, 2020
Defining New Limits in Gas Separations Using Modified ZIF Systems
Panagiotis Krokidas, Salvador Moncho, Edward N Brothers, et al.
Chemical Communications (Cambridge, England)
|
April 24, 2014
Dehydrogenation of a tertiary amine-borane by a rhenium complex
Sohail Muhammad, Salvador Moncho, Edward N Brothers, et al.
The Journal of Chemical Physics
|
June 24, 2017
Why are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactions
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2024
A DFT study of CO<sub>2</sub> electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects
Dušan N Sredojević, Ivana Vukoje, Đorđe Trpkov, et al.
The Journal of Chemical Physics
|
July 2, 2018
When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 63) with videos related to
Sort By:
Page
of 7
Journal of Molecular Modeling
|
April 9, 2015
Addition of ethylene to a π-conjugated two-dimensional nickel-based organometallic framework with implications for olefin separation
Salvador Moncho, Edward N Brothers, Michael B Hall
The Journal of Chemical Physics
|
February 8, 2006
Coaxial carbon nanotubes as shielded nanowires
Edward N Brothers, Gustavo E Scuseria, Konstantin N Kudin
The Journal of Physical Chemistry. B
|
June 30, 2006
Longitudinal polarizability of carbon nanotubes
Edward N Brothers, Gustavo E Scuseria, Konstantin N Kudin
The Journal of Chemical Physics
|
December 21, 2006
Linear-scaling calculation of static and dynamic polarizabilities in Hartree-Fock and density functional theory for periodic systems
Artur F Izmaylov, Edward N Brothers, Gustavo E Scuseria
Dalton Transactions (Cambridge, England : 2003)
|
August 2, 2016
A unified set of experimental organometallic data used to evaluate modern theoretical methods
Rajesh K Raju, Ashfaq A Bengali, Edward N Brothers
ACS Applied Materials & Interfaces
|
April 14, 2020
Defining New Limits in Gas Separations Using Modified ZIF Systems
Panagiotis Krokidas, Salvador Moncho, Edward N Brothers, et al.
Chemical Communications (Cambridge, England)
|
April 24, 2014
Dehydrogenation of a tertiary amine-borane by a rhenium complex
Sohail Muhammad, Salvador Moncho, Edward N Brothers, et al.
The Journal of Chemical Physics
|
June 24, 2017
Why are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactions
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 23, 2024
A DFT study of CO<sub>2</sub> electroreduction catalyzed by hexagonal boron-nitride nanosheets with vacancy defects
Dušan N Sredojević, Ivana Vukoje, Đorđe Trpkov, et al.
The Journal of Chemical Physics
|
July 2, 2018
When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis
Andrew Mahler, Benjamin G Janesko, Salvador Moncho, et al.
Page
of 7