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

Molecular Design of Efficient Organic D-A-π -A Dye Featuring Triphenylamine as Donor Fragment for Application in Dye-Sensitized Solar Cells

(2018) Parnian Ferdowsi et al.   ChemSusChem

Color tuning donor–acceptor-type azobenzene dyes by controlling the molecular geometry of the donor moiety

(2018) Shigeyuki Yamada et al.   DYES AND PIGMENTS

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

(2018) Ghiasuddin et al.   JOURNAL OF MOLECULAR STRUCTURE

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

(2018) Muhammad Shahid et al.   JOURNAL OF MOLECULAR STRUCTURE

First-Order Hyperpolarizability of Triphenylamine Derivatives Containing Cyanopyridine: Molecular Branching Effect

(2018) Ruben D. Fonseca et al.   Journal of Physical Chemistry C

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

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

(2018) Muhammad Saeed Ahmad et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Unique D–π–A–π–D type fluorescent probes for the two-photon imaging of intracellular viscosity

(2018) Xi Dai et al.   Journal of Materials Chemistry B

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

An Interesting Behavior and Nonlinear Optical (NLO) Response of Hexamolybdate Metal Cluster: Theoretical Insight into Electro-Optic Modulation of Hybrid Composites

(2017) Muhammad Haroon et al.   JOURNAL OF CLUSTER SCIENCE

DFT Molecular Simulation for Design and Effect of Core Bridging Acceptors (BA) on NLO Response: First Theoretical Framework to Enhance Nonlinearity Through BA

(2017) Rashid Mahmood et al.   JOURNAL OF CLUSTER SCIENCE

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

(2017) Muhammad Nadeem Arshad et al.   JOURNAL OF MOLECULAR STRUCTURE

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

(2017) Muhammad Adeel et al.   JOURNAL OF MOLECULAR STRUCTURE

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

(2017) Muhammad Nawaz Tahir et al.   JOURNAL OF MOLECULAR STRUCTURE

A combined experimental and computational characterization of D–π–A dyes containing heterocyclic electron donors

(2017) Venkatesan Srinivasan et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

Effect of substitution on the optoelectronic properties of dyes for DSSC. A DFT approach

(2017) Rawan N. Almogati et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Time dependent – density functional theory characterization of organic dyes for dye-sensitized solar cells

(2017) Rifaat Hilal et al.   MOLECULAR SIMULATION

Novel ethynyl-pyrene substituted phenothiazine based metal free organic dyes in DSSC with 12% conversion efficiency

(2017) Bhanumathi Nagarajan et al.   Journal of Materials Chemistry A

First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds

(2016) Muhammad Ramzan Saeed Ashraf Janjua et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

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

Screeningπ-conjugated bridges of organic dyes for dye-sensitized solar cells with panchromatic visible light harvesting

(2016) Zhenqing Yang et al.   NANOTECHNOLOGY

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

First-Principles Screening and Design of Novel Triphenylamine-Based D−π–A Organic Dyes for Highly Efficient Dye-Sensitized Solar Cells

(2015) Zhenqing Yang et al.   Journal of Physical Chemistry C

Screening donor groups of organic dyes for dye-sensitized solar cells

(2015) Zhenqing Yang et al.   RSC Advances

Quantum chemical perspective of efficient NLO materials based on dipolar trans-tetraammineruthenium (II) complexes with pyridinium and thiocyanate ligands: First theoretical framework

(2014) Muhammad Ramzan Saeed Ashraf Janjua et al.   Computational and Theoretical Chemistry

Significant Improvement of Dye-Sensitized Solar Cell Performance by Small Structural Modification in π-Conjugated Donor-Acceptor Dyes

(2012) Stefan Haid et al.   ADVANCED FUNCTIONAL MATERIALS

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

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

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

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

Molecular Engineering of Efficient Organic Sensitizers Incorporating a Binary π-Conjugated Linker Unit for Dye-Sensitized Solar Cells

(2010) Sanghyun Paek et al.   Journal of Physical Chemistry C

Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions

(2009) Jochen Autschbach   CHEMPHYSCHEM