Works by Hassan, Abrar U.

Results: 12

Realizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 5, p. 1, doi. 10.1007/s00894-024-05923-2

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Mohyuddin, Ayesha;
Nkungli, Nyiang K.;
Alhokbany, Norah

Publication type:

Article

Structure-based screening of sp<sup>2</sup> hybridized small donor bridges as donor: acceptor switches for optical and photovoltaic applications: DFT way.

Published in:

Journal of Molecular Modeling, 2024, v. 30, n. 2, p. 1, doi. 10.1007/s00894-024-05836-0

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.

Publication type:

Article

DFT-guided structural modeling of end-group acceptors at Y123 core for sensitizers as high-performance organic solar dyes and NLO responses.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 8, p. 1, doi. 10.1007/s00894-023-05668-4

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Zafar, Muddassar;
Mohyuddin, Ayesha;
Noreen, Sadaf;
Güleryüz, Cihat

Publication type:

Article

Molecular modeling of mordant black dye for future applications as visible light harvesting materials with anchors: design and excited state dynamics.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 3, p. 1, doi. 10.1007/s00894-023-05474-y

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Mustafa, Ghulam;
Zubair, Muhammad;
Mohyuddin, Abrar;
Nkungli, Nyiang K.;
Imran, Muhammad

Publication type:

Article

Efficient and tunable enhancement of NLO performance for indaceno-based donor moiety in A-π-D-π-D-π-A type first DSSC design by end-capped acceptors.

Published in:

Journal of Molecular Modeling, 2023, v. 29, n. 1, p. 1, doi. 10.1007/s00894-022-05402-6

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Mustafa, Ghulam;
Nazar, Muhammad F.;
Zafar, Muhammad N.

Publication type:

Article

Photovoltaic and Optical Characterization of Organic Heterocyclic 6,6′‐Dibromoindigotin Crystal Under Changing Solvent Polarity by DFT Analysis.

Published in:

Crystal Research & Technology, 2023, v. 58, n. 11, p. 1, doi. 10.1002/crat.202300191

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Li, Yuchuan

Publication type:

Article

Convenient and facile theoretical design strategy to amplify NLO response of N‐doped‐indolo[3,2,1‐jk]carbazole push–pullA‐π‐D‐π‐A switches.

Published in:

Journal of Chemical Technology & Biotechnology, 2024, v. 99, n. 2, p. 355, doi. 10.1002/jctb.7530

By:

Hassan, Abrar U;
Li, Yuchuan

Publication type:

Article

Exploring the Optical and Photovoltaic Changeover for Carbazole-Bridge Push-Pull Switches Against Their Local Excitations and Charge Transfers.

Published in:

Journal of Computational Biophysics & Chemistry, 2024, v. 23, n. 3, p. 417, doi. 10.1142/S2737416523500710

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Mohyuddin, Ayesha;
Imran, Muhammad;
Ali, Asad

Publication type:

Article

Investigating the Performance of Newly Designed Benzothiophene‐4,8‐Dione‐Based Dyes for Dye‐Sensitized Solar Cells.

Published in:

Energy Technology, 2024, v. 12, n. 2, p. 1, doi. 10.1002/ente.202301046

By:

Hassan, Abrar U.;
Li, Yuchuan

Publication type:

Article

Enriching the compositional tailoring of NLO responsive dyes with diversity oriented electron acceptors as visible light harvesters: a DFT/TD-DFT approach.

Published in:

Molecular Physics, 2023, v. 121, n. 1, p. 1, doi. 10.1080/00268976.2022.2148585

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Zafar, Wardha;
Imran, Muhammad;
Noreen, Sadaf;
Irfan, Muhammad

Publication type:

Article

Design, facile synthesis, spectroscopic characterization, and medicinal probing of metal‐based new sulfonamide drugs: A theoretical and spectral study.

Published in:

Applied Organometallic Chemistry, 2021, v. 35, n. 1, p. 1, doi. 10.1002/aoc.6054

By:

Hassan, Abrar U.;
Sumrra, Sajjad H.;
Raza, Muhammad A.;
Zubair, Muhammad;
Zafar, Muhammad N.;
Mughal, Ehsan U.;
Nazar, Muhammad F.;
Irfan, Ahmad;
Imran, Muhammad;
Assiri, Mohammed A.

Publication type:

Article

Synthesis, characterization, and biological screening of metal complexes of novel sulfonamide derivatives: Experimental and theoretical analysis of sulfonamide crystal.

Published in:

Applied Organometallic Chemistry, 2020, v. 34, n. 7, p. 1, doi. 10.1002/aoc.5623

By:

Sumrra, Sajjad H.;
Hassan, Abrar U.;
Imran, Muhammad;
Khalid, Muhammad;
Mughal, Ehsan U.;
Zafar, Muhammad N.;
Tahir, Muhammad N.;
Raza, Muhammad A.;
Braga, Ataualpa A.C.

Publication type:

Article