Works by Sumrra, Sajjad H.

Results: 23

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

Coumaronochromone as antibacterial and carbonic anhydrase inhibitors from Aerva persica (Burm.f.) Merr.: experimental and first-principles approaches.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2021, v. 76, n. 1, p. 71, doi. 10.1515/znc-2020-0138

By:

Imran, Muhammad;
Irfan, Ahmad;
Assiri, Mohammed A.;
Sumrra, Sajjad H.;
Saleem, Muhammad;
Hussain, Riaz;
Al-Sehemi, Abdullah G.

Publication type:

Article

Design and synthesis of triazole Schiff bases and their oxovanadium(IV) complexes as antimicrobial agents.

Published in:

Journal of Coordination Chemistry, 2010, v. 63, n. 22, p. 3981, doi. 10.1080/00958972.2010.523783

By:

Chohan, Zahid H.;
Sumrra, Sajjad H.;
Youssoufi, Moulay Hfid;
Hadda, Taibi Ben

Publication type:

Article

Enhanced nonlinear optical responses of doped superalkali metal salts with fluorinated/non-fluorinated planar boron sheets: A theoretical study.

Published in:

Modern Physics Letters B, 2025, v. 39, n. 7, p. 1, doi. 10.1142/S0217984924504153

By:

Ul Hassan, Abrar;
Sumrra, Sajjad H.;
Zafar, Wardha;
Nkungli, Nyiang K.;
Alhokbany, Norah

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

Coumaronochromone as antibacterial and carbonic anhydrase inhibitors from Aerva persica (Burm.f.) Merr.: experimental and first-principles approaches.

Published in:

2021

By:

Imran, Muhammad;
Irfan, Ahmad;
Assiri, Mohammed A.;
Sumrra, Sajjad H.;
Saleem, Muhammad;
Hussain, Riaz;
Al-Sehemi, Abdullah G.

Publication type:

Editorial

Correlating the charge transfer efficiency of metallic sulfa-isatins to design efficient NLO materials with better drug designs.

Published in:

BioMetals, 2022, v. 35, n. 3, p. 519, doi. 10.1007/s10534-022-00385-6

By:

Noreen, Sadaf;
Sumrra, Sajjad H.

Publication type:

Article

Facile synthesis, spectroscopic evaluation and antimicrobial screening of metal endowed triazole compounds.

Published in:

BioMetals, 2021, v. 34, n. 6, p. 1329, doi. 10.1007/s10534-021-00345-6

By:

Sumrra, Sajjad H.;
Zafar, Wardha;
Javed, Hassan;
Zafar, Muddassar;
Hussain, Muhammad Z.;
Imran, Muhammad;
Nadeem, Muhammad A.

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

Metal-based ethanolamine-derived compounds: a note on their synthesis, characterization and bioactivity.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2016, v. 31, p. 88, doi. 10.1080/14756366.2016.1220375

By:

Amjad, Muhammad;
Sumrra, Sajjad H.;
Akram, Muhammad Safwan;
Chohan, Zahid H.

Publication type:

Article

Metal based drugs: design, synthesis and in-vitro antimicrobial screening of Co(II), Ni(II), Cu(II) and Zn(II) complexes with some new carboxamide derived compounds: crystal structures of N-[ethyl(propan-2-yl)carbamothioyl]thiophene-2-carboxamide and its copper(II) complex

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2016, v. 31, n. 4, p. 590, doi. 10.3109/14756366.2015.1050011

By:

Sumrra, Sajjad H.;
Hanif, Muhammad;
Chohan, Zahid H.;
Akram, Muhammad Safwan;
Akhtar, Javeed;
Al-Shehri, Saad M.

Publication type:

Article

Design, synthesis and in vitro bactericidal/fungicidal screening of some vanadyl(IV)complexes with mono- and di-substituted ONS donor triazoles.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2015, v. 30, n. 5, p. 800, doi. 10.3109/14756366.2014.976565

By:

Sumrra, Sajjad H.;
Hanif, Muhammad;
Chohan, Zahid H.

Publication type:

Article

In vitro antibacterial, antifungal and cytotoxic activities of some triazole Schiff bases and their oxovanadium(IV) complexes.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2013, v. 28, n. 6, p. 1291, doi. 10.3109/14756366.2012.735666

By:

Sumrra, Sajjad H.;
Chohan, Zahid H.

Publication type:

Article

Synthesis, characterization and biological properties of thienyl derived triazole Schiff bases and their oxovanadium(IV) complexes.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2012, v. 27, n. 2, p. 187, doi. 10.3109/14756366.2011.582686

By:

Chohan, Zahid H.;
Sumrra, Sajjad H.

Publication type:

Article

Some biologically active oxovanadium(IV) complexes of triazole derived Schiff bases: their synthesis, characterization and biological properties.

Published in:

Journal of Enzyme Inhibition & Medicinal Chemistry, 2010, v. 25, n. 5, p. 599, doi. 10.3109/14756360903257884

By:

Chohan, Zahid H.;
Sumrra, Sajjad H.

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

Synthesis, characterization and biological studies of oxovanadium(IV) complexes with triazole-derived Schiff bases.

Published in:

Applied Organometallic Chemistry, 2010, v. 24, n. 2, p. 122, doi. 10.1002/aoc.1590

By:

Chohan, Zahid H.;
Sumrra, Sajjad H.

Publication type:

Article