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The Journal of Physical Chemistry Letters
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August 22, 2015
Electronic Functionality in Graphene-Based Nanoarchitectures: Discovery and Design via First-Principles Modeling
Aijun Du, Sean C Smith
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
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August 17, 2022
Analytical description of nanowires III: regular cross sections for wurtzite structures
Dirk König, Sean C Smith
The Journal of Physical Chemistry. A
|
March 3, 2006
HO2 ro-vibrational bound-state calculations for large angular momentum: J = 30, 40, and 50
Hong Zhang, Sean C Smith
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
March 15, 2023
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum
Dirk König, Sean C Smith
The Journal of Physical Chemistry. A
|
May 11, 2007
OH-initiated oxidation of toluene. 1. Quantum chemistry investigation of the reaction path
Terry J Frankcombe, Sean C Smith
The Journal of Physical Chemistry. A
|
May 11, 2007
OH-initiated oxidation of toluene. 2. Master equation simulation of toluene oxide isomerization
Terry J Frankcombe, Sean C Smith
Nanotechnology
|
September 7, 2010
Van der Waals-corrected density functional theory: benchmarking for hydrogen-nanotube and nanotube-nanotube interactions
A J Du, Sean C Smith
Journal of the American Chemical Society
|
February 17, 2010
Multifunctional porous graphene for nanoelectronics and hydrogen storage: new properties revealed by first principle calculations
Aijun Du, Zhonghua Zhu, Sean C Smith
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2017
The mechanism of oxidation in chromophore maturation of wild-type green fluorescent protein: a theoretical study
Yingying Ma, Qiao Sun, Sean C Smith
Physical Review Letters
|
September 26, 2012
First-principles prediction of metal-free magnetism and intrinsic half-metallicity in graphitic carbon nitride
Aijun Du, Stefano Sanvito, Sean C Smith
Page
of 13
Search research articles
Search
Showing results (11-20 of 127) with videos related to
Sort By:
Page
of 13
The Journal of Physical Chemistry Letters
|
August 22, 2015
Electronic Functionality in Graphene-Based Nanoarchitectures: Discovery and Design via First-Principles Modeling
Aijun Du, Sean C Smith
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
August 17, 2022
Analytical description of nanowires III: regular cross sections for wurtzite structures
Dirk König, Sean C Smith
The Journal of Physical Chemistry. A
|
March 3, 2006
HO2 ro-vibrational bound-state calculations for large angular momentum: J = 30, 40, and 50
Hong Zhang, Sean C Smith
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
March 15, 2023
Analytic description of nanowires II: morphing of regular cross sections for zincblende- and diamond-structures to match arbitrary shapes. Corrigendum
Dirk König, Sean C Smith
The Journal of Physical Chemistry. A
|
May 11, 2007
OH-initiated oxidation of toluene. 1. Quantum chemistry investigation of the reaction path
Terry J Frankcombe, Sean C Smith
The Journal of Physical Chemistry. A
|
May 11, 2007
OH-initiated oxidation of toluene. 2. Master equation simulation of toluene oxide isomerization
Terry J Frankcombe, Sean C Smith
Nanotechnology
|
September 7, 2010
Van der Waals-corrected density functional theory: benchmarking for hydrogen-nanotube and nanotube-nanotube interactions
A J Du, Sean C Smith
Journal of the American Chemical Society
|
February 17, 2010
Multifunctional porous graphene for nanoelectronics and hydrogen storage: new properties revealed by first principle calculations
Aijun Du, Zhonghua Zhu, Sean C Smith
Physical Chemistry Chemical Physics : PCCP
|
May 9, 2017
The mechanism of oxidation in chromophore maturation of wild-type green fluorescent protein: a theoretical study
Yingying Ma, Qiao Sun, Sean C Smith
Physical Review Letters
|
September 26, 2012
First-principles prediction of metal-free magnetism and intrinsic half-metallicity in graphitic carbon nitride
Aijun Du, Stefano Sanvito, Sean C Smith
Page
of 13