M. Khalid

W. Baader, M. Khalid, L. F. M. L. Ciscato, 2015, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.

Efficient designing of triphenylamine-based hole transport materials with outstanding photovoltaic characteristics for organic solar cells

M. Khalid, Riaz Hussain, Zobia Irshad, 2020, Journal of Materials Science.

Exploration of promising optical and electronic properties of (non-polymer) small donor molecules for organic solar cells

Muhammad Imran, M. Khalid, A. A. Braga, 2021, Scientific Reports.

Structural, optical and photovoltaic properties of unfused Non-Fullerene acceptors for efficient solution processable organic solar cell (Estimated PCE greater than 12.4%): A DFT approach

J. Iqbal, M. Khalid, Y. A. El-Badry, 2021, Journal of Molecular Liquids.

Molecular designing of high‐performance 3D star‐shaped electron acceptors containing a truxene core for nonfullerene organic solar cells

M. Khalid, Riaz Hussain, M. Mehboob, 2020 .

In Silico Modeling of New “Y-Series”-Based Near-Infrared Sensitive Non-Fullerene Acceptors for Efficient Organic Solar Cells

A. Al‐Saadi, M. Khalid, Riaz Hussain, 2020, ACS omega.

First theoretical framework of Z-shaped acceptor materials with fused-chrysene core for high performance organic solar cells.

M. Ehsan, A. Rehman, M. Khalid, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

High-throughput calculations and experimental insights towards the development of potent thiazoline based functional materials

M. Khalid, Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Haroon, 2021, Materials Today Communications.

Isolation of Thioinosine and Butenolides from a Terrestrial Actinomycetes sp. GSCW‐51 and Their in Silico Studies for Potential against SARS‐CoV‐2

M. Mahomoodally, M. Khalid, S. Muhammad, 2022, Chemistry & biodiversity.

First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole derivatives

M. Khalid, Riaz Hussain, Akbar Ali, 2020, RSC advances.

DFT and single-crystal investigation of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium-4-methylbenzoate hydrate (1:1:1) (DEMH)

M. Khalid, Akbar Ali, M. Tahir, 2020 .

Tris-isopropyl-sily-ethynyl anthracene based small molecules for organic solar cells with efficient photovoltaic parameters

S. Jabeen, J. Iqbal, M. Khalid, 2021 .

Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies

M. Khalid, Akbar Ali, M. Tahir, 2020 .

Influence of Acceptor Tethering on the Performance of Nonlinear Optical Properties for Pyrene-Based Materials with A-π-D-π-D Architecture

Muhammad Imran, Rasheed Ahmad Khera, M. Khalid, 2022, Arabian Journal of Chemistry.

Exploration of Nonlinear Optical Properties of Triphenylamine-Dicyanovinylene Coexisting Donor-π-Acceptor Architecture by the Modification of π-Conjugated Linker

J. Iqbal, Muhammad Imran, M. Khalid, 2021, Frontiers in Materials.

Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells

Muhammad Imran, M. Khalid, A. A. Braga, 2021, Scientific Reports.

The theoretical investigation of the opto-electronic properties of designed molecules having 2-(2-Methylene-3-oxo-indane-1-ylidene)malononitrile as end-capped acceptors

J. Iqbal, M. Khalid, S. W. Ahmad, 2020, Zeitschrift für Physikalische Chemie.

A computational approach to study the optoelectronic properties of F-BODIPY derivatives at the bulk level for photovoltaic applications

A. Laref, A. Al‐Sehemi, M. Khalid, 2020, Materials Research Express.

Molecular engineering of A–D–C–D–A configured small molecular acceptors (SMAs) with promising photovoltaic properties for high-efficiency fullerene-free organic solar cells

M. Khalid, K. Mahmood, Riaz Hussain, 2020, Optical and Quantum Electronics.

Designing of benzodithiophene acridine based Donor materials with favorable photovoltaic parameters for efficient organic solar cell

J. Iqbal, M. Khalid, Saleem Iqbal, 2021 .

A combined experimental and computational study of 2,2'-(diazene-1,2-diylbis(4,1-phenylene))bis(6-(butylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione): Synthesis, optical and nonlinear optical properties

J. Koh, M. Khalid, K. Ayub, 2019, Optik.

Chemical Composition and Bioactivities of the Essential Oil from Leaves of Syzygium cumini (L.) Skeels Native to Punjab, Pakistan.

M. Khalid, Riaz Hussain, N. Aslam, 2020, Chemistry & biodiversity.

Quantum chemical designing of novel fullerene-free acceptor molecules for organic solar cell applications

Muhammad Imran, M. Khalid, K. Ayub, 2022, Journal of Molecular Modeling.

Benchmark study of the linear and nonlinear optical polarizabilities in proto-type NLO molecule of para-nitroaniline

J. Iqbal, A. Al‐Sehemi, M. Khalid, 2019, Journal of Theoretical and Computational Chemistry.

Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5-trihydroxybenzoate -methanol (DETM)

S. H. Mirza, M. Khalid, Akbar Ali, 2019, Journal of Molecular Structure.

Synthetic Approach to Achieve Halo Imine Units: Solid-State Assembly, DFT Based Electronic and Non Linear Optical Behavior

Muhammad Imran, M. Khalid, Akbar Ali, 2022, Chemical Physics Letters.

Synthesis, crystal structure, Hirshfeld surface analysis and theoretical investigation of polynuclear coordination polymers of Cobalt and Manganese complexes with nitrobenzene and pyrazine

Muhammad Imran, M. Khalid, M. Tahir, 2021, Journal of Molecular Structure.

N-Trifluoroacetylated pyrazolines: Synthesis, characterization and antimicrobial studies.

Salman A. Khan, Abdullah M. Asiri, M. Oves, 2020, Bioorganic chemistry.

A coumarin based Schiff Base: An effective colorimetric sensor for selective detection of F- ion in real samples and DFT studies.

M. Khalid, Nadeem Ahmed, Z. Shafiq, 2022, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, Characterization and Remarkable Nonlinear Absorption of a Pyridyl Containing Symmetrical Porphyrin-Polyoxometalate Hybrid

Yunshan Zhou, Lijuan Zhang, S. Rani, 2022, Journal of Cluster Science.

Efficiency of intermolecular chemiluminescence systems lacks significant solvent cavity effect in binary toluene/diphenylmethane mixtures

W. Baader, M. Khalid, L. F. M. L. Ciscato, 2015 .

Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies

J. Iqbal, M. Khalid, M. Adeel, 2020 .

An Experimental and Computational Exploration on the Electronic, Spectroscopic, and Reactivity Properties of Novel Halo-Functionalized Hydrazones

F. Anwar, Muhammad Imran, M. Khalid, 2020, ACS omega.

Exploration of Noncovalent Interactions, Chemical Reactivity, and Nonlinear Optical Properties of Piperidone Derivatives: A Concise Theoretical Approach

M. Khalid, Akbar Ali, S. Asim, 2020, ACS omega.

Structural parameters, electronic, linear and nonlinear optical exploration of thiopyrimidine derivatives: A comparison between DFT/TDDFT and experimental study

A. Hussain, A. Al‐Sehemi, M. Khalid, 2020 .

First theoretical probe for efficient enhancement of nonlinear optical properties of quinacridone based compounds through various modifications

M. S. Qureshi, A. Al‐Saadi, K. Zia, 2019, Chemical Physics Letters.

Nifedipine degradation by an electro-oxidation process using titanium-based RuO2–IrO2–TiO2 mixed metal oxide electrode

Lina Abdullah Alshahrani, M. S. Qureshi, M. Khalid, 2020, Chemical Papers.

Synthesis and Characterization of Polyvanadium and Heteropoly-Tungsten Based Inorganic Wells Dawson Polyoxometalates Hybrids

M. Tariq, M. Khalid, T. Ansari, 2021, Russian Journal of Inorganic Chemistry.

Theoretical investigation of nonlinear optical behavior for rod and T-Shaped phenothiazine based D-π-A organic compounds and their derivatives

Muhammad Imran, M. Khalid, R. Khera, 2021, Journal of Saudi Chemical Society.

Exploration of nonlinear optical enhancement and interesting optical behavior with pyrene moiety as the conjugated donor and efficient modification in acceptor moieties

Abdullah M. Asiri, A. Asiri, M. Khalid, 2021, Optical and Quantum Electronics.

Exploration of second and third order nonlinear optical properties for theoretical framework of organic D–π–D–π–A type compounds

Muhammad Imran, M. Khalid, Ali Hussain, 2021, Optical and Quantum Electronics.

Key Electronic, Linear and Nonlinear Optical Properties of Designed Disubstituted Quinoline with Carbazole Compounds

A. Hussain, Muhammad Imran, M. Khalid, 2021, Molecules.

Green synthesis of Ag@CdO nanocomposite and their application towards brilliant green dye degradation from wastewater

A. Hussain, M. Ajmal, Qiaohong Peng, 2021, Journal of Nanostructure in Chemistry.

Heterogeneous Supported Catalysts for Butadiene Polymerization: The Effect of Calcination Temperature and Solvent

S. Hussain, A. Badshah, M. Khalid, 2010 .

Rational design of naphthalimide based small molecules non-fullerene acceptors for organic solar cells

J. Iqbal, M. Khalid, K. Ayub, 2020 .

β-Hydroxy Carbonyl Compounds Via Aldol Reaction: Single Crystal Investigation and Quantum Chemical Exploration for the Unveiling of Supramolecular Behavior

Muhammad Imran, M. Khalid, Akbar Ali, 2021 .

Exploration of structural, electronic and third order nonlinear optical properties of crystalline chalcone systems: Monoarylidene and unsymmetrical diarylidene cycloalkanones

Z. Din, Muhammad Imran, M. Khalid, 2021 .

Synthesis, Structure Study, First-Principles Investigations and Luminescence Properties of Europium and Terbium Complexes

Muhammad Imran, A. Al‐Sehemi, M. Khalid, 2020, Journal of Fluorescence.

Exploration of Electronic and Non-Linear Optical Properties of Novel 4-Aryl-2-methylpyridine Based Compounds Synthesized via High-Yielding Pd(0) Catalysed Reaction

Muhammad Imran, M. Khalid, Muhammad Adeel, 2022, Journal of Molecular Structure.

Naphthyridine derived colorimetric and fluorescent turn off sensors for Ni2+ in aqueous media

A. Bahkali, M. Khalid, M. Yaqub, 2021, Scientific Reports.

A facile synthesis and structural elucidation for furfural based chromophores: Prediction of linear and nonlinear optical properties

Muhammad Imran, M. Khalid, A. A. Braga, 2022, Journal of Molecular Structure.

Exploration of Photophysical and Nonlinear Properties of Salicylaldehyde-Based Functionalized Materials: A Facile Synthetic and DFT Approach

Muhammad Imran, M. Khalid, A. A. Braga, 2021, ACS omega.

Antibacterial metal complexes of o ‐sulfamoylbenzoic acid: Synthesis, characterization, and DFT study

Muhammad Imran, M. Khalid, A. Irfan, 2021, Applied Organometallic Chemistry.

Synthetic, spectroscopic, SC-XRD and nonlinear optical analysis of potent hydrazide derivatives: A comparative experimental and DFT/TD-DFT exploration

A. Hussain, M. Khalid, M. R. Shah, 2020 .

Efficient Synthesis by Mono‐Carboxy Methylation of 4,4′‐Biphenol, X‐ray Diffraction, Spectroscopic Characterization and Computational Study of the Crystal Packing of Ethyl 2‐((4′‐hydroxy‐[1,1′‐biphenyl]‐4‐yl)oxy)acetate

M. Khalid, M. R. Shah, Akbar Ali, 2019, ChemistrySelect.

Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: A DFT refine experimental study

M. Khalid, M. Tahir, A. A. Braga, 2019, Inorganica Chimica Acta.

A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies.

M. Khalid, M. Tahir, A. A. Braga, 2020, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis and solid state self-assembly of a 1,4-diazepine derivative: Water cluster as molecular glue and conformational isomerism

M. Khalid, S. Hameed, M. Naseer, 2020 .

Synthesis, Spectroscopic Characterization, DFT and Molecular Dynamics of Quinoline-based Peptoids

M. Khalid, Akbar Ali, H. Ali, 2023, Arabian Journal of Chemistry.

Synthesis, crystal structure, spectroscopic, electronic and nonlinear optical properties of potent thiazole based derivatives: Joint experimental and computational insight

A. Al‐Sehemi, M. Khalid, S. Muhammad, 2020, Journal of Molecular Structure.

Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives

Fazal Haq, M. Khalid, M. Adeel, 2017 .

Structural, SC-XRD and spectroscopic investigation of schiff base derivatives: A joint experimental and DFT investigation

M. Khalid, M. Tahir, Raja Summe Ullah, 2018, Journal of Molecular Structure.

Cationic dye adsorption and separation at discrete molecular level: first example of an iron cluster with rapid and selective adsorption of methylene blue from aqueous system

M. Khalid, M. Akhtar, M. AlDamen, 2021 .

Synthesis, crystal structure, DFT calculations, molecular docking study and Hirshfeld surface analysis of alkoxido-bridged dinuclear iron(III) complex

M. Khalid, W. Zierkiewicz, M. Michalczyk, 2020, Research on Chemical Intermediates.

Facile preparation, characterization, SC-XRD and DFT/DTDFT study of diversely functionalized unsymmetrical bis-aryl-α, β-unsaturated ketone derivatives

J. Iqbal, Z. Din, M. Khalid, 2020 .

Crystal and Quantum Chemical Exploration of the Potent Monocarbonyl Curcuminoids to Unveil Their Structural and Intriguing Electronic Properties

Z. Din, M. Khalid, Akbar Ali, 2020 .

Complexes of Imino-1,2,4-triazole Derivative with Transition Metals: Synthesis and Antibacterial Study

M. Khalid, M. Nadeem, Z. Chohan, 2018, Russian Journal of General Chemistry.

Synthesis, antioxidant, antimicrobial and antiviral docking studies of ethyl 2-(2-(arylidene)hydrazinyl)thiazole-4-carboxylates

M. Khalid, I. Ul Haq, S. Muhammad, 2021, Zeitschrift fur Naturforschung. C, Journal of biosciences.

Spectroscopic and DFT/TDDFT insights of the novel phosphonate imine compounds

Kelly P. Marrugo, M. Khalid, Akbar Ali, 2020 .

Facile Synthesis, Spectral (IR, Mass, UV−Vis, NMR), Linear and Nonlinear Investigation of the Novel Phosphonate Compounds: A Combined Experimental and Simulation Study

Kelly P. Marrugo, A. Al‐Sehemi, M. Khalid, 2020 .

Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses.

A. Asiri, M. Khalid, M. Arshad, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Synthesis, structural, DFT studies, docking and antibacterial activity of a xanthene based hydrazone ligand

M. Khalid, M. Tahir, A. A. Braga, 2017 .

Synthesis and XRD, FT-IR vibrational, UV–vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis

M. Khalid, Muhammad Mohsin Tahir, M. Tahir, 2018 .

Palladium-catalyzed synthesis of pyrimidine substituted diaryl ethers through Suzuki Miyaura coupling reactions: Experimental and DFT studies

M. Khalid, M. Adeel, Akbar Ali, 2020 .

Synthesis, XRD, spectral (IR, UV–Vis, NMR) characterization and quantum chemical exploration of benzoimidazole‐based hydrazones: A synergistic experimental‐computational analysis

M. Rafiq, M. Khalid, S. Muhammad, 2019, Applied Organometallic Chemistry.

A facile and concise route to (hydroxybenzoyl)pyrido[2,3-d]pyrimidine heterocycle derivatives: synthesis, and structural, spectral and computational exploration

M. Khalid, M. Yaqub, M. Tahir, 2019, RSC advances.

Synthesis, crystal structures, spectroscopic and nonlinear optical properties of chalcone derivatives: A combined experimental and theoretical study

A. Asiri, M. Khalid, K. Alamry, 2017 .

Synthesis, crystal structure, spectral and DFT studies of potent isatin derived metal complexes

M. Zafar, M. Khalid, M. Nadeem, 2018, Journal of Molecular Structure.

Stabilization of Supramolecular Assembly of N‐Substituted Benzylidene Acetohydrazide Analogs by Non‐Covalent Interactions: A Concise Experimental and Theoretical Approach

M. Khalid, Akbar Ali, M. Tahir, 2020 .

Synthesis, characterization and DFT calculated properties of electron-rich hydrazinylthiazoles: Experimental and computational synergy

Muhammad Imran, M. Khalid, S. Woodward, 2021 .

Alkyl 2-(2-(arylidene)alkylhydrazinyl)thiazole-4-carboxylates: Synthesis, acetyl cholinesterase inhibition and docking studies

Muhammad Imran, M. Khalid, Muhammad Haroon, 2021 .

Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study

M. Khalid, M. Adeel, M. Tahir, 2019, Journal of Saudi Chemical Society.

Synthesis, single-crystal exploration, and theoretical insights of arylsulfonylated 2-amino-6-methylpyrimidin derivatives

Muhammad Imran, M. Khalid, A. Irfan, 2021 .

Efficient Synthesis, SC-XRD, and Theoretical Studies of O-Benzenesulfonylated Pyrimidines: Role of Noncovalent Interaction Influence in Their Supramolecular Network

F. Rasool, Arif Ali, M. Khalid, 2020, ACS omega.

Synthesis, spectral characterization and computed optical analysis of potent triazole based compounds.

M. Khalid, A. A. Braga, M. Nazar, 2018, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

A dual approach to study the synthesis, crystal structure, thermal, optical and nonlinear optical properties of copper (II) malonate complex {(C7H8O2N)2[Cu(C3H2O4)2(H2O)2]}

A. Al‐Sehemi, M. Khalid, S. Muhammad, 2019, Inorganic Chemistry Communications.

Electro-optical and charge transport properties of chalcone derivatives using a dual approach from molecule to material level simulations

J. Iqbal, Hong-liang Xu, M. Khalid, 2021 .

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

M. Zafar, Muhammad Imran, M. Khalid, 2020 .

Palladium-catalyzed synthesis of 5-(arylated) pyrimidines, their characterization, electronic communication, and non-linear optical evaluations

M. Khalid, M. Adeel, S. Muhammad, 2021 .

Synthesis, structural, spectral and biological evaluation of metals endowed 1,2,4-triazole

K. Mahmood, M. Khalid, M. Anees, 2020 .

Efficient synthesis, characterization, and in vitro bactericidal studies of unsymmetrically substituted triazole-derived Schiff base ligand and its transition metal complexes

M. Zafar, M. Khalid, Z. Chohan, 2020, Monatshefte für Chemie - Chemical Monthly.

Cyclization of chalcones into N-propionyl pyrazolines for their single crystal X-ray, computational and antibacterial studies

Salman A. Khan, Abdullah M. Asiri, M. Oves, 2020 .

Facile synthesis, single crystal analysis, and computational studies of sulfanilamide derivatives

M. Khalid, M. Tahir, A. A. Braga, 2017 .

Molecular structure of 1,4-bis(substituted-carbonyl)benzene: A combined experimental and theoretical approach

M. Khalid, S. Asim, M. Tahir, 2020 .

Persistent prevalence of supramolecular architectures of novel ultrasonically synthesized hydrazones due to hydrogen bonding [X–H⋯O; X=N]: Experimental and density functional theory analyses

M. Khalid, Akbar Ali, S. Asim, 2021 .

An efficient synthesis, structural (SC-XRD) and spectroscopic (FTIR, 1HNMR, MS spectroscopic) characterization of novel benzofuran-based hydrazones: An experimental and theoretical studies

Abdullah M. Asiri, A. Asiri, M. Khalid, 2020 .

Facile synthesis, crystal growth, characterization and computational study of new pyridine‐based halogenated hydrazones: Unveiling the stabilization behavior in terms of noncovalent interactions

J. Iqbal, J. Zukerman-Schpector, M. Khalid, 2020 .

2-Nitro- and 4-fluorocinnamaldehyde based receptors as naked-eye chemosensors to potential molecular keypad lock

Nouf S. S. Zaghloul, M. Khalid, J. Hussain, 2021, Scientific Reports.

Efficiency of Electron Transfer Initiated Chemiluminescence

W. Baader, M. Khalid, F. Augusto, 2013, Photochemistry and photobiology.

Synthesized Thiazole-Based Hydrazides and their Spectral Characterization along with Biological Studies: Promising Quantum Chemical Insights

Muhammad Imran, M. Khalid, I. Haq, 2022, Journal of Molecular Structure.

NLO potential exploration for D–π–A heterocyclic organic compounds by incorporation of various π-linkers and acceptor units

A. Hussain, Yuzhen Li, Muhammad Imran, 2021, Arabian Journal of Chemistry.

Structural modulation of π-conjugated linkers in D–π–A dyes based on triphenylamine dicyanovinylene framework to explore the NLO properties

Muhammad Imran, M. Khalid, Riaz Hussain, 2021, Royal Society Open Science.

An Efficient Synthesis, Spectroscopic Characterization, and Optical Nonlinearity Response of Novel Salicylaldehyde Thiosemicarbazone Derivatives

Muhammad Imran, M. Khalid, A. Irfan, 2021, ACS omega.

Non-covalent interactions abetted supramolecular arrangements of N-Substituted benzylidene acetohydrazide to direct its solid-state network

M. Khalid, Riaz Hussain, Akbar Ali, 2021 .

Structural parameter-modulated nonlinear optical amplitude of acceptor–π–D–π–donor-configured pyrene derivatives: a DFT approach

Muhammad Imran, M. Khalid, M. U. Khan, 2021, RSC Advances.

Synthesis and Spectroscopic Characterization of Nicotinaldehyde Based Derivatives: SC-XRD, Linear and Non-Linear Optical Studies

Muhammad Imran, M. Khalid, M. Adeel, 2022, Journal of Molecular Structure.

Facile synthesis, DNA binding, Urease inhibition, anti-oxidant, molecular docking and DFT studies of 3-(3-Bromo-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone and 3-(3-Bromo-5 chloro-phenyl)-1-(2-trifluoromethyl-phenyl)-propenone

F. Rasool, A. Hussain, M. Tariq, 2021 .

Probing 2-acetylbenzofuran hydrazones and their metal complexes as α-glucosidase inhibitors.

M. Tariq, P. Taslimi, M. Khalid, 2020, Bioorganic chemistry.

Synthetic, XRD, non-covalent interactions and solvent dependent nonlinear optical studies of Sulfadiazine-Ortho-Vanillin Schiff base: (E)-4-((2-hydroxy-3-methoxy- benzylidene) amino)-N-(pyrimidin-2-yl)benzene-sulfonamide

M. Khalid, M. Tahir, A. A. Braga, 2018 .

Invited Review Efficiency of Electron Transfer Initiated Chemiluminescence

W. Baader, M. Khalid, F. Augusto, 2013 .

An untargeted 13C isotopic evaluation approach for the discrimination of fermented food matrices at natural abundance: Application to vinegar.

Xu Zhang, Maili Liu, M. Khalid, 2020, Talanta.

Tuning of a A–A–D–A–A-Type Small Molecule with Benzodithiophene as a Central Core with Efficient Photovoltaic Properties for Organic Solar Cells

J. Iqbal, Muhammad Imran, M. Khalid, 2021, ACS omega.

Optoelectronic properties of naphthalene bis-benzimidazole based derivatives and their photovoltaic applications

S. Jabeen, J. Iqbal, M. Khalid, 2021 .

A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach

M. Khalid, Riaz Hussain, M. Tahir, 2021 .

Exploration of Chromone-Based Thiosemicarbazone Derivatives: SC-XRD/DFT, Spectral (IR, UV–Vis) Characterization, and Quantum Chemical Analysis

M. Khalid, M. Tahir, A. A. Braga, 2020, ACS omega.

Theoretical and Conceptual Framework to Design Efficient Dye-Sensitized Solar Cells (DSSCs): Molecular Engineering by DFT Method

M. Khalid, N. Ullah, Muhammad Ramzan Saeed Ashraf Janjua, 2020, Journal of Cluster Science.

DFT and single crystal analysis of the pyrimethamine-based novel co-crystal salt: 2,4-diamino-5-(4-chloro-phenyl)-6-ethylpyrimidin-1-ium:4-hydroxybenzoate:methanol:hydrate (1:1:1:1) (DEHMH)

S. H. Mirza, M. Khalid, Akbar Ali, 2020 .

2-Amino-3-methylpyridinium, 2-amino-4-methylbenzothiazolium and 2-amino-5-chloropyridinium salts. Experimental and theoretical findings

M. Khalid, M. Hanif, M. Tahir, 2020 .

Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: Star-shaped D-π-A conjugated systems

Muhammad Imran, M. Khalid, Muhammad Adeel, 2023, Materials Chemistry and Physics.

Exploration of efficient electron acceptors for organic solar cells: rational design of indacenodithiophene based non-fullerene compounds

Muhammad Imran, M. Khalid, M. U. Khan, 2021, Scientific Reports.

Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation

J. Iqbal, Muhammad Imran, M. Khalid, 2021, Journal of Saudi Chemical Society.

Designing N-phenylaniline-triazol configured donor materials with promising optoelectronic properties for high-efficiency solar cells

J. Iqbal, M. Khalid, Riaz Hussain, 2020 .

Designing spirobifullerene core based three‐dimensional cross shape acceptor materials with promising photovoltaic properties for high‐efficiency organic solar cells

M. Khalid, Riaz Hussain, Muhammad Adnan, 2020 .

Designing indenothiophene-based acceptor materials with efficient photovoltaic parameters for fullerene-free organic solar cells

J. Iqbal, M. Khalid, Riaz Hussain, 2020, Journal of Molecular Modeling.

Enhancement in Photovoltaic Properties of N , N ‐diethylaniline based Donor Materials by Bridging Core Modifications for Efficient Solar Cells

J. Iqbal, M. Khalid, K. Ayub, 2020 .

Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells

J. Iqbal, M. Khalid, Riaz Hussain, 2019, RSC advances.

Bio-oriented synthesis of new sulphadiazine derivatives for urease inhibition and their pharmacokinetic analysis

J. Uddin, M. Khalid, G. Batiha, 2021, Scientific Reports.

A combined experimental and computational study of 3-bromo-5-(2,5-difluorophenyl) pyridine and 3,5-bis(naphthalen-1-yl)pyridine: Insight into the synthesis, spectroscopic, single crystal XRD, electronic, nonlinear optical and biological properties

M. Khalid, M. Adeel, M. Tahir, 2018 .

Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response

M. Khalid, M. Adeel, S. Muhammad, 2021, RSC advances.

Chemically Modified Quinoidal Oligothiophenes for Enhanced Linear and Third-Order Nonlinear Optical Properties

S. Bashir, M. Khalid, K. Ayub, 2021, ACS omega.

Experimental and computational study of naphthalimide derivatives: Synthesis, optical, nonlinear optical and antiviral properties

J. Koh, M. Khalid, S. Muhammad, 2021, Optik.

Quantum chemical designing of indolo[3,2,1-jk]carbazole-based dyes for highly efficient nonlinear optical properties

A. Al‐Saadi, M. Khalid, Muhammad Ramzan Saeed Ashraf Janjua, 2019, Chemical Physics Letters.

Identification of marine fungi-based antiviral agents as potential inhibitors of SARS-CoV-2 by molecular docking, ADMET and molecular dynamic study

J. Iqbal, A. Al‐Sehemi, M. Khalid, 2021, Journal of Computational Biophysics and Chemistry.

Experimental and computational investigations of new indole derivatives: A combined spectroscopic, SC-XRD, DFT/TD-DFT and QTAIM analysis

M. Khalid, M. Tahir, A. A. Braga, 2020 .

First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers

A. Al‐Saadi, M. Khalid, Muhammad Ramzan Saeed Ashraf Janjua, 2018 .

Correction to: Quantum chemical designing of novel fullerene‑free acceptor molecules for organic solar cell applications

Muhammad Imran, M. Khalid, K. Ayub, 2022, Journal of Molecular Modeling.

Donor moieties with D–π–a framing modulated electronic and nonlinear optical properties for non-fullerene-based chromophores

Anish Khan, M. Khalid, M. Arshad, 2022, RSC advances.

Synthesis and in Silico Docking Studies of Ethyl 2‐(2‐Arylidene‐1‐alkylhydrazinyl)thiazole‐4‐carboxylates as Antiglycating Agents

Muhammad Imran, M. Khalid, Muhammad Haroon, 2021, Chemistry & biodiversity.

Exploring the impact of central core modifications among several push-pull configurations to enhance nonlinear optical response.

S. Réhman, A. Al‐Sehemi, M. Khalid, 2020, Journal of molecular graphics & modelling.

First theoretical framework of superalkali metals [M3X(M=Li, Na, K; X= O, S, F, N)] doped all-boron B38 nanocluster: A promising class of nonlinear optical materials for optoelectronic applications

Nouf S. S. Zaghloul, M. Khalid, Riaz Hussain, 2023, Journal of Photochemistry and Photobiology A: Chemistry.

Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations

A. Hussain, Muhammad Imran, M. Khalid, 2019, Molecules.

Facile Synthesis of Diversely Functionalized Peptoids, Spectroscopic Characterization, and DFT-Based Nonlinear Optical Exploration

Muhammad Imran, M. Khalid, Akbar Ali, 2021, ACS omega.

Synthesis of Diaminopyrimidine Sulfonate Derivatives and Exploration of Their Structural and Quantum Chemical Insights via SC-XRD and the DFT Approach

Muhammad Imran, M. Khalid, Riaz Hussain, 2021, ACS Omega.

Synthesis, Characterization and Remarkable Nonlinear Absorption of a Pyridyl Containing Symmetrical Porphyrin-Polyoxometalate Hybrid

Yunshan Zhou, Lijuan Zhang, S. Rani, 2022, Journal of Cluster Science.

2-Amino-6-methylpyridine based Salt Converted to Carbon Electrode Material for Supercapacitive Application

M. Tariq, A. Badshah, M. Khalid, 2021 .

O-4-Acetylamino-benzenesulfonylated pyrimidine derivatives: synthesis, SC-XRD, DFT analysis and electronic behaviour investigation

J. Iqbal, M. Khalid, Akbar Ali, 2021 .

Synthesis, biological activity and docking calculations of bis-naphthoquinone derivatives from Lawsone.

I. Gulcin, M. Khalid, M. Yaqub, 2021, Bioorganic chemistry.

Investigating the Role of Novel Benzotrithiophene-Based Bat-Shaped Non-Fullerene Acceptors for High Performance Organic Solar Cells

Muhammad Imran, M. Khalid, Riaz Hussain, 2022, Journal of Computational Biophysics and Chemistry.

Determination of Paraquat Dichloride from Water Samples Using Differential Pulse Cathodic Stripping Voltammetry

M. S. Qureshi, Z. Yusop, M. Khalid, 2018, Russian Journal of Electrochemistry.