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Journal of Molecular Modeling
|
January 11, 2024
Structure-based screening of sp<sup>2</sup> hybridized small donor bridges as donor: acceptor switches for optical and photovoltaic applications: DFT way
Abrar U Hassan, Sajjad H Sumrra
Journal of Fluorescence
|
July 8, 2022
Exploration of Pull-Push Effect for Novel Photovoltaic Dyes with A-π-D Design: A DFT/TD-DFT Investigation
Abrar U Hassan, Sajjad H Sumrra
Journal of Molecular Graphics & Modelling
|
May 21, 2025
Generating a vast chemical space for high polar surface area triphenylamine polymers by machine learning-DFT calculations assisted reverse engineering for photovoltaics
Abrar U Hassan, Mamduh J Aljaafreh
Inorganic Chemistry
|
June 10, 2026
A Benzonitrile-Based Sodium Coordination Polymer with UV-Absorbing Properties: Synthesis, Characterization, Crystallography, and Thin-Film Preparations
Abrar U Hassan, Wang Zisen, Yu-Chuan Li
Journal of Molecular Modeling
|
April 27, 2026
Building molecular C<sub>10</sub>-π-cationic interaction systems for reporting quadrupole moments basis
Abrar U Hassan, Sajjad H Sumrra, Mamduh J Aljaafreh
Journal of Fluorescence
|
November 18, 2022
A DFT Study on New Photovoltaic Dyes to Investigate their NLO Tuning at Near Infrared Region (NIR) as Pull-push Effect by End Capped Acceptors
Abrar U Hassan, Sajjad H Sumrra, Muhammad F Nazar, et al.
ACS Omega
|
May 25, 2026
A Molecular Descriptor-Based Analysis of Organic Compounds and Designing New Promising Candidates by Machine Learning
Mamduh J Aljaafreh, Sajjad H Sumrra, Abrar U Hassan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
October 12, 2024
Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties
Cihat Güleryüz, Sajjad H Sumrra, Ayesha Mohyuddin, et al.
Journal of Fluorescence
|
December 29, 2023
Design and Exploration of Benzene Like Azobis Triazoles for Long-range Push-Pull Photo-Switching Attributes
Abrar U Hassan, Sajjad H Sumrra, Muhammad Zubair, et al.
Journal of Molecular Modeling
|
April 6, 2024
Realizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets
Abrar U Hassan, Sajjad H Sumrra, Ayesha Mohyuddin, et al.
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Search research articles
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Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Journal of Molecular Modeling
|
January 11, 2024
Structure-based screening of sp<sup>2</sup> hybridized small donor bridges as donor: acceptor switches for optical and photovoltaic applications: DFT way
Abrar U Hassan, Sajjad H Sumrra
Journal of Fluorescence
|
July 8, 2022
Exploration of Pull-Push Effect for Novel Photovoltaic Dyes with A-π-D Design: A DFT/TD-DFT Investigation
Abrar U Hassan, Sajjad H Sumrra
Journal of Molecular Graphics & Modelling
|
May 21, 2025
Generating a vast chemical space for high polar surface area triphenylamine polymers by machine learning-DFT calculations assisted reverse engineering for photovoltaics
Abrar U Hassan, Mamduh J Aljaafreh
Inorganic Chemistry
|
June 10, 2026
A Benzonitrile-Based Sodium Coordination Polymer with UV-Absorbing Properties: Synthesis, Characterization, Crystallography, and Thin-Film Preparations
Abrar U Hassan, Wang Zisen, Yu-Chuan Li
Journal of Molecular Modeling
|
April 27, 2026
Building molecular C<sub>10</sub>-π-cationic interaction systems for reporting quadrupole moments basis
Abrar U Hassan, Sajjad H Sumrra, Mamduh J Aljaafreh
Journal of Fluorescence
|
November 18, 2022
A DFT Study on New Photovoltaic Dyes to Investigate their NLO Tuning at Near Infrared Region (NIR) as Pull-push Effect by End Capped Acceptors
Abrar U Hassan, Sajjad H Sumrra, Muhammad F Nazar, et al.
ACS Omega
|
May 25, 2026
A Molecular Descriptor-Based Analysis of Organic Compounds and Designing New Promising Candidates by Machine Learning
Mamduh J Aljaafreh, Sajjad H Sumrra, Abrar U Hassan, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
October 12, 2024
Theoretical calculations of nonlinear optical responses for interpreting nonconjugated molecular systems to affect non-optimal properties
Cihat Güleryüz, Sajjad H Sumrra, Ayesha Mohyuddin, et al.
Journal of Fluorescence
|
December 29, 2023
Design and Exploration of Benzene Like Azobis Triazoles for Long-range Push-Pull Photo-Switching Attributes
Abrar U Hassan, Sajjad H Sumrra, Muhammad Zubair, et al.
Journal of Molecular Modeling
|
April 6, 2024
Realizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets
Abrar U Hassan, Sajjad H Sumrra, Ayesha Mohyuddin, et al.
Page
of 2