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Journal of Chemical Theory and Computation
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September 14, 2016
Intramolecular Singlet Fission in Quinoidal Bi- and Tetrathiophenes: A Comparative Study of Low-Lying Excited Electronic States and Potential Energy Surfaces
Mohammad R Momeni
Journal of Chemical Theory and Computation
|
November 18, 2015
Why do TD-DFT excitation energies of BODIPY/Aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods
Mohammad R Momeni, Alex Brown
The Journal of Chemical Physics
|
October 13, 2025
Real-time dynamics with bead-Fourier path integrals. I. Bead-Fourier CMD
Nathan London, Mohammad R Momeni
The Journal of Physical Chemistry. A
|
April 2, 2016
A Local CC2 and TDA-DFT Double Hybrid Study on BODIPY/aza-BODIPY Dimers as Heavy Atom Free Triplet Photosensitizers for Photodynamic Therapy Applications
Mohammad R Momeni, Alex Brown
ACS Applied Materials & Interfaces
|
May 19, 2018
Dual Role of Water in Heterogeneous Catalytic Hydrolysis of Sarin by Zirconium-Based Metal-Organic Frameworks
Mohammad R Momeni, Christopher J Cramer
Inorganic Chemistry
|
August 3, 2018
Density Functional Modeling of Ligand Effects on Electronic Structure and C-H Bond Activation Activity of Copper(III) Hydroxide Compounds
Büsra Dereli, Mohammad R Momeni, Christopher J Cramer
The Journal of Physical Chemistry. A
|
September 9, 2011
New generation of dialkylsilylenes with stabilities comparable to diaminosilylenes: a theoretical study
Mohammad R Momeni, Farnaz A Shakib, Zahra Azizi
Chemical Communications (Cambridge, England)
|
December 17, 2020
Deterministic role of structural flexibility on catalytic activity of conductive 2D layered metal-organic frameworks
Mohammad R Momeni, Zeyu Zhang, Farnaz A Shakib
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2015
Interplay of donor-acceptor interactions in stabilizing boron nitride compounds: insights from theory
Mohammad R Momeni, Lisa Shulman, Eric Rivard, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 25, 2021
Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sites
Mohammad R Momeni, Zeyu Zhang, David Dell'Angelo, et al.
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of 3
Search research articles
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Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
September 14, 2016
Intramolecular Singlet Fission in Quinoidal Bi- and Tetrathiophenes: A Comparative Study of Low-Lying Excited Electronic States and Potential Energy Surfaces
Mohammad R Momeni
Journal of Chemical Theory and Computation
|
November 18, 2015
Why do TD-DFT excitation energies of BODIPY/Aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods
Mohammad R Momeni, Alex Brown
The Journal of Chemical Physics
|
October 13, 2025
Real-time dynamics with bead-Fourier path integrals. I. Bead-Fourier CMD
Nathan London, Mohammad R Momeni
The Journal of Physical Chemistry. A
|
April 2, 2016
A Local CC2 and TDA-DFT Double Hybrid Study on BODIPY/aza-BODIPY Dimers as Heavy Atom Free Triplet Photosensitizers for Photodynamic Therapy Applications
Mohammad R Momeni, Alex Brown
ACS Applied Materials & Interfaces
|
May 19, 2018
Dual Role of Water in Heterogeneous Catalytic Hydrolysis of Sarin by Zirconium-Based Metal-Organic Frameworks
Mohammad R Momeni, Christopher J Cramer
Inorganic Chemistry
|
August 3, 2018
Density Functional Modeling of Ligand Effects on Electronic Structure and C-H Bond Activation Activity of Copper(III) Hydroxide Compounds
Büsra Dereli, Mohammad R Momeni, Christopher J Cramer
The Journal of Physical Chemistry. A
|
September 9, 2011
New generation of dialkylsilylenes with stabilities comparable to diaminosilylenes: a theoretical study
Mohammad R Momeni, Farnaz A Shakib, Zahra Azizi
Chemical Communications (Cambridge, England)
|
December 17, 2020
Deterministic role of structural flexibility on catalytic activity of conductive 2D layered metal-organic frameworks
Mohammad R Momeni, Zeyu Zhang, Farnaz A Shakib
Physical Chemistry Chemical Physics : PCCP
|
June 9, 2015
Interplay of donor-acceptor interactions in stabilizing boron nitride compounds: insights from theory
Mohammad R Momeni, Lisa Shulman, Eric Rivard, et al.
Physical Chemistry Chemical Physics : PCCP
|
January 25, 2021
Gauging van der Waals interactions in aqueous solutions of 2D MOFs: when water likes organic linkers more than open-metal sites
Mohammad R Momeni, Zeyu Zhang, David Dell'Angelo, et al.
Page
of 3