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

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

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

Role of Excess Electrons in Nonlinear Optical Response

(2015) Rong-Lin Zhong et al.   Journal of Physical Chemistry Letters

Nonlinear optical properties of an azobenzene polymer

(2014) Yi Zeng et al.   Chinese Physics B

Multilithiation Effect on the First Hyperpolarizability of Carbon–Boron–Nitride Heteronanotubes: Activating Segment versus Connecting Pattern

(2014) Rong-Lin Zhong et al.   Journal of Physical Chemistry C

A computational study of the nonlinear optical properties of carbazole derivatives: theory refines experiment

(2014) Alejandro J. Garza et al.   THEORETICAL CHEMISTRY ACCOUNTS

Helical Carbon Segment in Carbon-Boron-Nitride Heteronanotubes: Structure and Nonlinear Optical Properties

(2014) Rong-Lin Zhong et al.   ChemPlusChem

Solvent effects on nonlinear optical response of certain tetrammineruthenium(II) complexes of modified 1,10-phenanthrolines

(2013) Muhammad Ramzan Saeed Ashraf Janjua et al.   CANADIAN JOURNAL OF CHEMISTRY

Arylamine organic dyes for dye-sensitized solar cells

(2013) Mao Liang et al.   CHEMICAL SOCIETY REVIEWS

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

Electronic Structure, Nonlinear Optical Properties, and Vibrational Analysis of Gemifloxacin by Density Functional Theory

(2012) Shamoon Ahmad Siddiqui et al.   SPECTROSCOPY-AN INTERNATIONAL JOURNAL

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

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

Prediction of robustly large molecular second-order nonlinear optical properties of terpyridine-substituted hexamolybdates: Structural modelling towards a rational entry to NLO materials

(2010) Muhammad Ramzan Saeed Ashraf Janjua et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues

(2010) Mariachiara Pastore 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

A Quantum Mechanical Study of the Second-Order Nonlinear Optical Properties of Aryldiazenido-Substituted Hexamolybdates: A Surprising Charge Transfer

(2009) Muhammad Ramzan Saeed Ashraf Janjua et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Extensive TD-DFT Benchmark: Singlet-Excited States of Organic Molecules

(2009) Denis Jacquemin 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

Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives

(2009) Julien Preat et al.   Journal of Physical Chemistry C

Synthesis of new hetarylazoindole dyes from some 2-aminothiazole derivatives

(2008) A. Saylam et al.   RUSSIAN JOURNAL OF ORGANIC CHEMISTRY