Related references
Note: Only part of the references are listed.Easy and fast prediction of green solvents for small molecule donor-based organic solar cells through machine learning
Asif Mahmood et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2023)
On the viability of divergent donor moieties in malononitrile-based donor-π-acceptor NLO active materials: A DFT/TD-DFT study
Mohamed Yahya et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2022)
Quantum chemical design and prediction that complements understanding: How do the transition metals enhance the CO2 sensing ability of inorganic Mg12O12 nanoclusters?
Muhammad Ramzan Saeed Ashraf Janjua
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2022)
End-capped engineering of truxene core based acceptor materials for high performance organic solar cells: theoretical understanding and prediction
Fatiqa Zafar et al.
OPTICAL AND QUANTUM ELECTRONICS (2021)
Construction of simple and low-cost acceptors for efficient non-fullerene organic solar cells
Junxu Liao et al.
ORGANIC ELECTRONICS (2021)
π-conjugated Materials Derived From Boron-chalcogenophene Combination. A Brief Description of Synthetic Routes and Optoelectronic Applications
Ankita Dhiman et al.
CHEMICAL RECORD (2021)
Chemically Modified Quinoidal Oligothiophenes for Enhanced Linear and Third-Order Nonlinear Optical Properties
Amna Bibi et al.
ACS OMEGA (2021)
Optical properties analysis of the new (C9H14N)3BiCl6 compound by UV-visible measurements
Kaouther Kahouli et al.
INDIAN JOURNAL OF PHYSICS (2021)
Mono- and di-substituted pyrene-based donor-π-acceptor systems with phenyl and thienyl π-conjugating bridges
Monica Irina Nan et al.
DYES AND PIGMENTS (2020)
Metal-free carbazole scaffold dyes as potential nonlinear optical phores: molecular engineering
Ravi Ketavath et al.
JOURNAL OF MATERIALS CHEMISTRY C (2020)
Functional Third Components in Nonfullerene Acceptor-Based Ternary Organic Solar Cells
Ying Zhang et al.
ACCOUNTS OF MATERIALS RESEARCH (2020)
Synthesis, Characterization, Physico-Chemical and DFT Studies of Potential Organic NLO Materials: Experimental and Theoretical Combined Study
I. Manikandan et al.
SILICON (2019)
Spirobifluorene based small molecules as an alternative to traditional fullerene acceptors for organic solar cells
Muhammad Ans et al.
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING (2019)
Progress in non-fullerene acceptor based organic solar cells
Leiping Duan et al.
SOLAR ENERGY MATERIALS AND SOLAR CELLS (2019)
Synthesis, Characterization, Computation of Global Reactivity Descriptors and Antiproliferative Activity of N-(4-nitrophenyl)Acrylamide
Emine Tanis et al.
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B (2019)
Next-generation organic photovoltaics based on non-fullerene acceptors
Pei Cheng et al.
NATURE PHOTONICS (2018)
Material insights and challenges for non-fullerene organic solar cells based on small molecular acceptors
Jianquan Zhang et al.
NATURE ENERGY (2018)
Viewpoint: Inorganic Materials for UV and Deep-UV Nonlinear-Optical Applications
P. Shiv Halasyamani et al.
INORGANIC CHEMISTRY (2017)
DFT Molecular Simulation for Design and Effect of Core Bridging Acceptors (BA) on NLO Response: First Theoretical Framework to Enhance Nonlinearity Through BA
Rashid Mahmood et al.
JOURNAL OF CLUSTER SCIENCE (2017)
Synthesis, Characterization, Thermal Analysis, Nucleation Kinetics and DFT Studies of Bis(thiourea) Antimony Tribromide as Potential NLO Material: Comparison of Experimental and Computational Studies
N. R. Rajagopalan et al.
JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2017)
Donor-acceptor molecules based on benzothiadiazole: Synthesis, X-ray crystal structures, linear and third-order nonlinear optical properties
Di Jiang et al.
DYES AND PIGMENTS (2016)
Computational determination of the Electronic and Nonlinear Optical properties of the molecules 2-(4-aminophenyl) Quinoline, 4-(4-aminophenyl) Quinoline, Anthracene, Anthraquinone and Phenanthrene
Geh Wilson Ejuh et al.
MATERIALS LETTERS (2016)
Quinacridone-based π-conjugated electronic materials
Chenguang Wang et al.
JOURNAL OF MATERIALS CHEMISTRY C (2016)
Effect of thiophene rings on UV/visible spectra and non-linear optical (NLO) properties of triphenylamine based dyes: a quantum chemical perspective
Asif Mahmood et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2015)
Linear and nonlinear optical properties of nucleic acid bases
Andrea Alparone
CHEMICAL PHYSICS (2013)
Thermodynamic properties of carbon dioxide clusters by M06-2X and dispersion-corrected B2PLYP-D theory
Kono H. Lemke et al.
CHEMICAL PHYSICS LETTERS (2013)
NBO 6.0: Natural bond orbital analysis program
Eric D. Glendening et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
Position-Dependent Extension of π-Conjugation in D-π-A Dye Sensitizers and the Impact on the Charge-Transfer Properties
Mateusz Wielopolski et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
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
Supawadee Namuangruk et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Computational studies of 1,2-disubstituted benzimidazole derivatives
J. Jayabharathi et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2012)
Physico-chemical studies on some fluorescence sensors: DFT based ESIPT process
C. Anbuselvan et al.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY (2012)
A Frontier Molecular Orbital Theory Approach to Understanding the Mayr Equation and to Quantifying Nucleophilicity and Electrophilicity by Using HOMO and LUMO Energies
Lian-Gang Zhuo et al.
ASIAN JOURNAL OF ORGANIC CHEMISTRY (2012)
An amphiphilic pyrene sheet for selective functionalization of graphene
Dong-Woo Lee et al.
CHEMICAL COMMUNICATIONS (2011)
Time-dependent transition density matrix
Yonghui Li et al.
CHEMICAL PHYSICS (2011)
Excitons in organic semiconductors
Ahmed Dkhissi
SYNTHETIC METALS (2011)
B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals
Bartolomeo Civalleri et al.
CRYSTENGCOMM (2008)
cclib: A library for package-independent computational chemistry algorithms
Noel M. O'Boyle et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
In silico optimization of merocyanine-spiropyran compounds as second-order nonlinear optical molecular switches
Aurelie Plaquet et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Update 1 of: Electrophilicity Index
Pratim Kumar Chattaraj et al.
CHEMICAL REVIEWS (2007)
A comprehensive study of linear and non-linear optical properties of novel charge transfer molecular systems
BAS Mendis et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2004)
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
M Cossi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Growth, characterization and nonlinear optical property of chalcone derivative
J Indira et al.
JOURNAL OF CRYSTAL GROWTH (2002)
Application of natural bond orbital analysis to delocalization and aromaticity in C-substituted tetrazoles
N Sadlej-Sosnowska
JOURNAL OF ORGANIC CHEMISTRY (2001)