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

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

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 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

Diacetylene Functionalized Covalent Organic Framework (COF) for Photocatalytic Hydrogen Generation

(2018) Pradip Pachfule et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

A comparative study of DFT calculated and experimental UV/Visible spectra for thirty carboline and carbazole based compounds

(2017) Zeenat Zara et al.   JOURNAL OF MOLECULAR STRUCTURE

Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and acceptor

(2017) Muhammad Ramzan Saeed Ashraf Janjua   Journal of the Iranian Chemical Society

Semiconducting Conjugated Microporous Polymer: An Electrode Material for Photoelectrochemical Water Splitting and Oxygen Reduction

(2017) Swetha Jayanthi et al.   ChemistrySelect

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

Construction of Covalent Organic Nanotubes by Light-Induced Cross-Linking of Diacetylene-Based Helical Polymers

(2016) Kaho Maeda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Conducting polymer nanostructures for photocatalysis under visible light

(2015) Srabanti Ghosh et al.   NATURE MATERIALS

Spectroscopic and quantum chemical analysis of Isonicotinic acid methyl ester

(2015) D. Shoba et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

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

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

(2015) Zhenqing Yang et al.   RSC Advances

Utilization of electron‐deficient thiadiazole derivatives as π-spacer for the red shifting of absorption maxima of diarylamine-fluorene based dyes

(2014) Salah Ud-Din Khan et al.   THEORETICAL CHEMISTRY ACCOUNTS

Diacetylene bridged triphenylamines as hole transport materials for solid state dye sensitized solar cells

(2013) Miquel Planells et al.   Journal of Materials Chemistry A

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

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

Natural bond orbital methods

(2011) Eric D. Glendening et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

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

Benzothiazole-Based Fluorophores of Donor−π-Acceptor−π-Donor Type Displaying High Two-Photon Absorption

(2010) Veronika Hrobáriková et al.   JOURNAL OF ORGANIC CHEMISTRY

Molecular Engineering of Benzothiazolium Salts with Large Quadratic Hyperpolarizabilities: Can Auxiliary Electron-Withdrawing Groups Enhance Nonlinear Optical Responses?

(2010) Peter Hrobárik 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

Performance of DFT Methods in the Calculation of Optical Spectra of TCF-Chromophores

(2009) Jan Andzelm et al.   Journal of Chemical Theory and Computation

Prediction of Remarkably Large Second-Order Nonlinear Optical Properties of Organoimido-Substituted Hexamolybdates

(2009) Muhammad Ramzan Saeed Ashraf Janjua et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural, vibrational and theoretical studies of l-histidine bromide

(2008) A. Ben Ahmed et al.   JOURNAL OF MOLECULAR STRUCTURE