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

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

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

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

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

Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response

(2013) Hongping Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dialkoxybithiazole: A New Building Block for Head-to-Head Polymer Semiconductors

(2013) Xugang Guo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Angular-shaped naphthalene tetracarboxylic diimides for n-channel organic transistor semiconductors

(2011) Shan-ci Chen et al.   CHEMICAL COMMUNICATIONS

Solution-Processed Molecular Bis(Naphthalene Diimide) Derivatives with High Electron Mobility

(2011) Lauren E. Polander et al.   CHEMISTRY OF MATERIALS

Synthesis and photovoltaic property of polymer semiconductor with phthalimide derivative as a promising electron withdrawing material

(2011) Jang Yong Lee et al.   EUROPEAN POLYMER JOURNAL

A Qualitative Index of Spatial Extent in Charge-Transfer Excitations

(2011) Tangui Le Bahers et al.   Journal of Chemical Theory and Computation

n-Type Conjugated Polyisoindigos

(2011) Romain Stalder et al.   MACROMOLECULES

Pyromellitic Diimide-Based Donor–Acceptor Poly(phenylene ethynylene)s

(2011) Xugang Guo et al.   MACROMOLECULES

D–A copolymers based on dithienosilole and phthalimide for photovoltaic materials

(2011) Maojie Zhang et al.   POLYMER

Synthesis and Characterization of a Pyromellitic Diimide-Based Polymer with C- and N-Main Chain Links: Matrix for Solution-Processable n-Channel Field-Effect Transistors

(2011) Srinivas Kola et al.   ACS Macro Letters

Rylene and Related Diimides for Organic Electronics

(2010) Xiaowei Zhan et al.   ADVANCED MATERIALS

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

Isoindigo-Based Donor−Acceptor Conjugated Polymers

(2010) Romain Stalder et al.   MACROMOLECULES

Synthesis of Isoindigo-Based Oligothiophenes for Molecular Bulk Heterojunction Solar Cells

(2010) Jianguo Mei et al.   ORGANIC LETTERS

Conjugated polymers based on benzodithiophene and arylene imides: Extended absorptions and tunable electrochemical properties

(2010) Jian Chen et al.   POLYMER

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

(2009) Jochen Autschbach   CHEMPHYSCHEM

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

(2009) Denis Jacquemin et al.   Journal of Chemical Theory and Computation

Efficient solar cells based on a new phthalimide-based donor–acceptor copolymer semiconductor: morphology, charge-transport, and photovoltaic properties

(2009) Hao Xin et al.   JOURNAL OF MATERIALS CHEMISTRY

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

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

Pyromellitic Diimides: Minimal Cores for High Mobility n-Channel Transistor Semiconductors

(2008) Qingdong Zheng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of new hetarylazoindole dyes from some 2-aminothiazole derivatives

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