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International Journal of Molecular Sciences
|
November 18, 2016
The Thermodynamic and Kinetic Properties of 2-Hydroxypyridine/2-Pyridone Tautomerization: A Theoretical and Computational Revisit
Safiyah A Hejazi, Osman I Osman, Abdulrahman O Alyoubi, et al.
International Journal of Molecular Sciences
|
March 28, 2015
Towards understanding the decomposition/isomerism channels of stratospheric bromine species: ab initio and quantum topology study
Saadullah G Aziz, Abdulrahman O Alyoubi, Shaaban A Elroby, et al.
Journal of Chemical Theory and Computation
|
November 16, 2017
Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping
Ljiljana Stojanović, Saadullah G Aziz, Rifaat H Hilal, et al.
International Journal of Molecular Sciences
|
December 4, 2012
Eclipsed acetaldehyde as a precursor for producing vinyl alcohol
Osman I Osman, Abdulrahman O Alyoubi, Shabaan A K Elroby, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals
Cai-Rong Zhang, John S Sears, Bing Yang, et al.
Journal of Fluorescence
|
January 18, 2022
Zn<sup>2+</sup>-Schiff's Base Complex as an "On-Off-On" Molecular Switch and a Fluorescence Probe for Cu<sup>2+</sup> and Ag<sup>+</sup> Ions
Shaaban A Elroby, Bashair Abdullah Banaser, Saadullah G Aziz, et al.
The Journal of Chemical Physics
|
August 24, 2015
Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling
Gilbert Grell, Sergey I Bokarev, Bernd Winter, et al.
The Journal of Chemical Physics
|
November 23, 2017
Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems
Christopher Sutton, Naga Rajesh Tummala, Travis Kemper, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2015
Unconventional CH(δ+)···N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile molecules
Sean P Platt, Isaac K Attah, M S El-Shall, et al.
Molecules (Basel, Switzerland)
|
October 14, 2023
Organoboron Complexes as Thermally Activated Delayed Fluorescence (TADF) Materials for Organic Light-Emitting Diodes (OLEDs): A Computational Study
Jamilah A Asiri, Walid M I Hasan, Abdesslem Jedidi, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 42) with videos related to
Sort By:
Page
of 5
International Journal of Molecular Sciences
|
November 18, 2016
The Thermodynamic and Kinetic Properties of 2-Hydroxypyridine/2-Pyridone Tautomerization: A Theoretical and Computational Revisit
Safiyah A Hejazi, Osman I Osman, Abdulrahman O Alyoubi, et al.
International Journal of Molecular Sciences
|
March 28, 2015
Towards understanding the decomposition/isomerism channels of stratospheric bromine species: ab initio and quantum topology study
Saadullah G Aziz, Abdulrahman O Alyoubi, Shaaban A Elroby, et al.
Journal of Chemical Theory and Computation
|
November 16, 2017
Nonadiabatic Dynamics of Cycloparaphenylenes with TD-DFTB Surface Hopping
Ljiljana Stojanović, Saadullah G Aziz, Rifaat H Hilal, et al.
International Journal of Molecular Sciences
|
December 4, 2012
Eclipsed acetaldehyde as a precursor for producing vinyl alcohol
Osman I Osman, Abdulrahman O Alyoubi, Shabaan A K Elroby, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Theoretical Study of the Local and Charge-Transfer Excitations in Model Complexes of Pentacene-C60 Using Tuned Range-Separated Hybrid Functionals
Cai-Rong Zhang, John S Sears, Bing Yang, et al.
Journal of Fluorescence
|
January 18, 2022
Zn<sup>2+</sup>-Schiff's Base Complex as an "On-Off-On" Molecular Switch and a Fluorescence Probe for Cu<sup>2+</sup> and Ag<sup>+</sup> Ions
Shaaban A Elroby, Bashair Abdullah Banaser, Saadullah G Aziz, et al.
The Journal of Chemical Physics
|
August 24, 2015
Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling
Gilbert Grell, Sergey I Bokarev, Bernd Winter, et al.
The Journal of Chemical Physics
|
November 23, 2017
Understanding the effects of electronic polarization and delocalization on charge-transport levels in oligoacene systems
Christopher Sutton, Naga Rajesh Tummala, Travis Kemper, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 25, 2015
Unconventional CH(δ+)···N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile molecules
Sean P Platt, Isaac K Attah, M S El-Shall, et al.
Molecules (Basel, Switzerland)
|
October 14, 2023
Organoboron Complexes as Thermally Activated Delayed Fluorescence (TADF) Materials for Organic Light-Emitting Diodes (OLEDs): A Computational Study
Jamilah A Asiri, Walid M I Hasan, Abdesslem Jedidi, et al.
Page
of 5