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

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

(2021) Anam Rubbab Pasha et al.   JOURNAL OF MOLECULAR STRUCTURE

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

(2021) Bakhat Ali et al.   MOLECULES

Novel W-Shaped Oxygen Heterocycle-Fused Fluorene-Based Non-Fullerene Acceptors: First Theoretical Framework for Designing Environment-Friendly Organic Solar Cells

(2021) Muhammad Usman Khan et al.   ENERGY & FUELS

Facile Ultrasound‐Based Synthesis, SC‐XRD, DFT Exploration of the Substituted Acyl‐Hydrazones: An Experimental and Theoretical Slant towards Supramolecular Chemistry

(2020) Muhammad Khalid et al.   ChemistrySelect

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

(2020) Muhammad Khalid et al.   JOURNAL OF MOLECULAR STRUCTURE

Prediction of Second-Order Nonlinear Optical Properties of D–π–A Compounds Containing Novel Fluorene Derivatives: A Promising Route to Giant Hyperpolarizabilities

(2019) Muhammad Usman Khan et al.   JOURNAL OF CLUSTER SCIENCE

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

(2019) Muhammad Usman Khan et al.   CHEMICAL PHYSICS LETTERS

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

(2019) Muhammad Khalid et al.   MOLECULES

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

(2018) Muhammad Usman Khan et al.   Journal of Physical Chemistry C

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

(2018) Muhammad Usman Khan et al.   CHEMICAL PHYSICS LETTERS

The role of π-linkers in tuning the optoelectronic properties of triphenylamine derivatives for solar cell applications – A DFT/TDDFT study

(2017) Murugesan Panneerselvam et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical studies and spectroscopic characterization of novel 4-methyl-5-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)benzene-1,2-diol

(2016) Somayeh Soleimani Amiri et al.   JOURNAL OF MOLECULAR STRUCTURE

Fluorene-Based Sensitizers with a Phenothiazine Donor: Effect of Mode of Donor Tethering on the Performance of Dye-Sensitized Solar Cells

(2015) Abhishek Baheti et al.   ACS Applied Materials & Interfaces

Solvent-Dependent Non-Linear Optical Properties of 5,5′-Disubstituted-2,2′-bipyridine Complexes of Ruthenium(II): A Quantum Chemical Perspective

(2015) Muhammad Ramzan Saeed Ashraf Janjua et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Effect of thiophene rings on UV/visible spectra and non-linear optical (NLO) properties of triphenylamine based dyes: a quantum chemical perspective

(2015) Asif Mahmood et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Quantum chemical investigation of spectroscopic studies and hydrogen bonding interactions between water and methoxybenzeylidene-based humidity sensor

(2015) Shabbir Muhammad et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Enhancement of nonlinear optical (NLO) properties of indigo through modification of auxiliary donor, donor and acceptor

(2015) Asif Mahmood et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis, spectroscopic investigation and computational study of 3-(1-(((methoxycarbonyl)oxy)imino)ethyl)-2H-chromen-2-one

(2015) K. Gokula Krishnan et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Effect of Extended π-Conjugation of the Donor Structure of Organic D–A−π–A Dyes on the Photovoltaic Performance of Dye-Sensitized Solar Cells

(2014) Masataka Katono et al.   Journal of Physical Chemistry C

Nonlinear optics, active plasmonics and metamaterials with liquid crystals

(2014) Iam Choon Khoo   PROGRESS IN QUANTUM ELECTRONICS

Position-Dependent Extension of π-Conjugation in D-π-A Dye Sensitizers and the Impact on the Charge-Transfer Properties

(2013) Mateusz Wielopolski et al.   Journal of Physical Chemistry C

Nonlinear absorption properties of the charge states of nitrogen-vacancy centers in nanodiamonds

(2013) Ivaylo P. Ivanov et al.   OPTICS LETTERS

Quantum chemical design of nonlinear optical materials by sp2-hybridized carbon nanomaterials: issues and opportunities

(2013) Shabbir Muhammad et al.   Journal of Materials Chemistry C

Quantum Mechanical Design of Efficient Second-Order Nonlinear Optical Materials Based on Heteroaromatic Imido-Substituted Hexamolybdates: First Theoretical Framework of POM-Based Heterocyclic Aromatic Rings

(2012) Muhammad Ramzan Saeed Ashraf Janjua   INORGANIC CHEMISTRY

D–D−π–A-Type Organic Dyes for Dye-Sensitized Solar Cells with a Potential for Direct Electron Injection and a High Extinction Coefficient: Synthesis, Characterization, and Theoretical Investigation

(2012) Supawadee Namuangruk et al.   Journal of Physical Chemistry C

Effect of π-conjugation spacer (CC) on the first hyperpolarizabilities of polymeric chain containing polyoxometalate cluster as a side-chain pendant: A DFT study

(2012) Muhammad Ramzan Saeed Ashraf Janjua et al.   Computational and Theoretical Chemistry

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

A DFT Study on The Two-Dimensional Second-Order Nonlinear Optical (NLO) Response of Terpyridine-Substituted Hexamolybdates: Physical Insight on 2D Inorganic-Organic Hybrid Functional Materials

(2011) Muhammad Ramzan Saeed Ashraf Janjua et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

A Tutorial on Nonlinear Photonic Applications of Carbon Nanotube and Graphene

(2011) Shinji Yamashita   JOURNAL OF LIGHTWAVE TECHNOLOGY

Redox and Photoisomerization Switching the Second-Order Nonlinear Optical Properties of a Tetrathiafulvalene Derivative Across Six States: A DFT Study

(2011) Chun-Guang Liu et al.   Journal of Physical Chemistry C

Tuning Second-Order Non-linear (NLO) Optical Response of Organoimido-Substituted Hexamolybdates through Halogens: Quantum Design of Novel Organic-Inorganic Hybrid NLO Materials

(2010) Muhammad Ramzan Saeed Ashraf Janjua et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Investigation of Dibenzoboroles Having π-Electrons: Toward a New Type of Two-Dimensional NLO Molecular Switch?

(2009) Shabbir Muhammad et al.   Journal of Physical Chemistry C

Particle size-dependent giant nonlinear absorption in nanostructured Ni-Ti alloys

(2008) John Kiran Anthony et al.   OPTICS EXPRESS