Papers citing 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
Effect of π-conjugation spacer (CC) on the first hyperpolarizabilities of polymeric chain containing polyoxometalate cluster as a side-chain pendant: A DFT study
Computational and Theoretical Chemistry · 2012
Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Usman Khan, Beenish Bashir, Muhammad Awais Iqbal, Yuzhi Song, Syed Ali Raza Naqvi, Zulfiqar Ali Khan
Read original paper ↗ ·Experimental and Computational Study of a New Wheel-Shaped {[W5O21]3[(UVIO2)2(μ-O2)]3}30–Polyoxometalate
Inorganic Chemistry · 2012
Pere Miró, Jie Ling, Jie Qiu, Peter Carman Burns, Laura Gagliardi, Christopher J. Cramer
Read original paper ↗ ·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
Inorganic Chemistry · 2012
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Hydrothermal syntheses and crystal structures of two novel inorganic–organic hybrid compounds based on saturated α-Keggin phosphomolybdate clusters
Inorganic Chemistry Communications · 2013
Ju-Kun Hu, Xiao‐Yang Yu, Yu‐Hui Luo, Xiaofang Wang, Feng-Xia Yue, Hong Zhang
Read original paper ↗ ·Solvent effects on nonlinear optical response of certain tetrammineruthenium(II) complexes of modified 1,10-phenanthrolines
Canadian Journal of Chemistry · 2013
Muhammad Ramzan Saeed Ashraf Janjua, Asif Mahmood, Farooq Ahmad
Read original paper ↗ ·Prediction of second-order nonlinear optical properties of Wells–Dawson polyoxometalate derivatives [X–C(CH 2 O) 3 P 2 M′ 3 M 15 O 59 ] 6− (X = NO 2 , NH 2 , and CH 3 , M′ = V and Nb, M = W and Mo)
Inorganic Chemistry Frontiers · 2013
Ting Zhang, Li‐Kai Yan, Sha Cong, Wei Guan, Zhong‐Min Su
Read original paper ↗ ·Quantum chemical perspective of efficient NLO materials based on dipolar trans-tetraammineruthenium (II) complexes with pyridinium and thiocyanate ligands: First theoretical framework
Computational and Theoretical Chemistry · 2014
Muhammad Ramzan Saeed Ashraf Janjua, Saba Jamil, Tauqeer Ahmad, Zhihua Yang, Asif Mahmood, Shilie Pan
Read original paper ↗ ·Synthesis, characterization of novel cyclohexenone derivatives and computation of their optical response
Journal of Molecular Structure · 2014
Amir Badshah, Muhammad Faizan Nazar, Asif Mahmood, Waqas Ahmed, Muhammad Imran Abdullah, Muhammad Naveed Zafar, Usman Ali Rana
Read original paper ↗ ·The NLO properties of hybrid materials based on molybdate/hexamolybdate derivatives: A theoretical perspective for electro-optic modulation
Synthetic Metals · 2014
Yuzhi Song, Muhammad Ramzan Saeed Ashraf Janjua, Saba Jamil, Muhammad Hamza Haroon, Saria Nasir, Zahra Nisar, Atifa Zafar, Nadia Nawaz, Asma Batool, Abdul-Aziz
Read original paper ↗ ·Hybrid Gel Electrolytes Derived from Keggin-Type Polyoxometalates and Imidazolium-Based Ionic Liquid with Enhanced Electrochemical Stability and Fast Ionic Conductivity
The Journal of Physical Chemistry C · 2015
Xia Tong, Venkataraman Thangadurai
Read original paper ↗ ·Solvent-Dependent Non-Linear Optical Properties of 5,5'-Disubstituted-2,2'-bipyridine Complexes of Ruthenium(ii): A Quantum Chemical Perspective
Australian Journal of Chemistry · 2015
Muhammad Ramzan Saeed Ashraf Janjua, Saba Jamil, Asif Mahmood, Atifa Zafar, Muhammad Hamza Haroon, Haq Nawaz Bhatti
Read original paper ↗ ·Multidecker Sandwich Cluster VnBenn+1 (n = 1, 2, 3, 4) as a Polarizable Bridge for Designing 1D Second-Order NLO Chromophore: Metal−π Sandwich Multilayer Structure as a Particular Charge-Transfer Axis for Constructing Multidimensional NLO Molecules
The Journal of Physical Chemistry C · 2015
Shu-Jian Wang, Yinfeng Wang, Chenxin Cai
Read original paper ↗ ·First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds
Australian Journal of Chemistry · 2015
Muhammad Ramzan Saeed Ashraf Janjua, Zain Hassan Yamani, Saba Jamil, Asif Mahmood, Imran Ahmad, Muhammad Hamza Haroon, Mudassir Hussain Tahir, Zhihua Yang, Shilie Pan
Read original paper ↗ ·Synthesis, spectroscopic characterization, and computed optical analysis of green fluorescent cyclohexenone derivatives
Journal of Physical Organic Chemistry · 2015
Muhammad Faizan Nazar, Amir Badshah, Asif Mahmood, Muhammad Naveed Zafar, Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Asam Raza, Riaz Hussain
Read original paper ↗ ·Chiral polyoxomolybdate-based hybrid compounds obtained by spontaneous resolution: syntheses, structures and non-linear optical properties
New Journal of Chemistry · 2016
Yujiao Hou, Haiyan An, Tieqi Xu, Sangen Zhao, Junhua Luo
Read original paper ↗ ·Donor–acceptor organo-imido polyoxometalates: high transparency, high activity redox-active NLO chromophores
Dalton Transactions · 2016
Ahmed Al‐Yasari, Nick Van Steerteghem, Hani El Moll, Koen Clays, John Fielden
Read original paper ↗ ·Second-Order Nonlinear Optical Susceptibilities of Metal–Organic Frameworks Using a Combined Local Field Theory/Charge Embedding Electrostatic Scheme
The Journal of Physical Chemistry C · 2016
Tomasz Seidler, Benoît R. Champagne
Read original paper ↗ ·Second-Order Nonlinear Optical Properties of Carboranylated Square-Planar Pt(II) Zwitterionic Complexes: One-/Two-Dimensional Difference and Substituent Effect
The Journal of Physical Chemistry A · 2016
Hong-Qiang Wang, Li Wang, Rong-Rong Li, Jin-Ting Ye, Zhenzhen Chen, He Chen, Yong‐Qing Qiu, Haiming Xie
Read original paper ↗ ·Synthesis, X-ray crystallographic, spectroscopic and computational studies of aminothiazole derivatives
Journal of Molecular Structure · 2016
Muhammad Adeel, Ataualpa Albert Carmo Braga, Muhammad Nawaz Tahir, Fazal Haq, Muhammad Khalid, Mohammad A. Halim
Read original paper ↗ ·Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and acceptor
Journal of the Iranian Chemical Society · 2017
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Organoimido-Polyoxometalate Nonlinear Optical Chromophores: A Structural, Spectroscopic, and Computational Study
Inorganic Chemistry · 2017
Ahmed Al‐Yasari, Nick Van Steerteghem, Hayleigh Kearns, Hani El Moll, Karen Faulds, Joseph A. Wright, Bruce S. Brunschwig, Koen Clays, John Fielden
Read original paper ↗ ·Synthesis and XRD, FT-IR vibrational, UV–vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis
Journal of Physics and Chemistry of Solids · 2017
Muhammad Saeed Ahmad, Muhammad Khalid, Muhammad Ashraf Shaheen, Muhammad Nawaz Tahir, Muhammad Usman Khan, Ataualpa Albert Carmo Braga, Hazoor Ahmad Shad
Read original paper ↗ ·First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers
The Journal of Physical Chemistry C · 2018
Muhammad Usman Khan, Muhammad Khalid, Muhammad Ibrahim, Ataualpa Albert Carmo Braga, Muhammad Safdar, Abdulaziz A. Al‐Saadi, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·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
Journal of Molecular Structure · 2018
Ghiasuddin, Muhammad Akram, Muhammad Adeel, Muhammad Khalid, Muhammad Nawaz Tahir, Muhammad Usman Khan, Muhammad Adnan Asghar, Malik Aman Ullah, Muhammad Iqbal
Read original paper ↗ ·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
Journal of Molecular Structure · 2018
Muhammad Shahid, Muhammad Salim, Muhammad Khalid, Muhammad Nawaz Tahir, Muhammad Usman Khan, Ataualpa Albert Carmo Braga
Read original paper ↗ ·Computational studies of the nonlinear optical properties of organometallic complexes
Coordination Chemistry Reviews · 2018
Mahesh S. Kodikara, Robert Stranger, Mark Graeme Humphrey
Read original paper ↗ ·Synthesis, spectroscopic, single crystal diffraction and potential nonlinear optical properties of novel pyrazoline derivatives: Interplay of experimental and computational analyses
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2018
Muhammad Nadeem Arshad, Abdulhadi Salih Birinji, Muhammad Khalid, Abdullah Mohamed Asiri, Khalid Ahmad Alamry, Faisal Mohammed Aqlan, Ataualpa Albert Carmo Braga
Read original paper ↗ ·Tuning the electronic structure of organic–inorganic hybrid polyoxometalates: The crucial role of the covalent linkage
Polyhedron · 2018
Alexander J. Kibler, Graham N. Newton
Read original paper ↗ ·Structure–Property Relationship and Systematic Study of a Series of Terpyridine Based Nonlinear Optical Compounds: DFT Computation of Interactive Design
Journal of Cluster Science · 2018
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Synthesis, crystal structure analysis, spectral IR, UV–Vis, NMR assessments, electronic and nonlinear optical properties of potent quinoline based derivatives: Interplay of experimental and DFT study
Journal of Saudi Chemical Society · 2018
Muhammad Khalid, Malik Aman Ullah, Muhammad Adeel, Muhammad Usman Khan, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga
Read original paper ↗ ·Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds: A DFT refine experimental study
Inorganica Chimica Acta · 2018
Rifat Jawaria, Mazhar Hussain, Muhammad Khalid, Muhammad Usman Khan, Muhammad Nawaz Tahir, Muhammad Moazzam Naseer, Ataualpa Albert Carmo Braga, Zahid Shafiq
Read original paper ↗ ·Structural Properties and Nonlinear Optical Responses of Halogenated Compounds: A DFT Investigation on Molecular Modelling
Open Chemistry · 2018
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Synthèse de polyoxométallates hybrides et étude de leurs propriétés en biologie et en optique
Venue not supplied by source · 2018
Amandine Boulmier
Read original paper ↗ ·Synthesis, single crystal analysis and DFT based computational studies of 2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrim idin-1-ium 3,4,5-trihydroxybenzoate -methanol (DETM)
Journal of Molecular Structure · 2018
Muhammad Nawaz Tahir, Shafaat Hussain Mirza, Muhammad Khalid, Akbar Ali, Muhammad Usman Khan, Ataualpa Albert Carmo Braga
Read original paper ↗ ·Designing triazatruxene-based donor materials with promising photovoltaic parameters for organic solar cells
RSC Advances · 2019
Muhammad Usman Khan, Javed Iqbal M, Muhammad Khalid, Riaz Hussain, Ataualpa Albert Carmo Braga, Munawar Hussain, Shabbir Muhammad
Read original paper ↗ ·Prediction of Second-Order Nonlinear Optical Properties of D–π–A Compounds Containing Novel Fluorene Derivatives: A Promising Route to Giant Hyperpolarizabilities
Journal of Cluster Science · 2019
Muhammad Usman Khan, Muhammad Ibrahim, Muhammad Khalid, Ataualpa Albert Carmo Braga, Sarfraz Ahmed, Ayesha Sultan
Read original paper ↗ ·Quantum chemical designing of indolo[3,2,1-jk]carbazole-based dyes for highly efficient nonlinear optical properties
Chemical Physics Letters · 2019
Muhammad Usman Khan, Muhammad Ibrahim, Muhammad Khalid, Saba Jamil, Abdulaziz A. Al‐Saadi, Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Density Functional Theory Predictions of the Nonlinear Optical (NLO) Properties in Triphenylamine based α-Cyanocinnamic Acid Compounds: Effect of Fluorine on NLO Response
Journal of the Mexican Chemical Society · 2019
Muhammad Ramzan Saeed Ashraf Janjua
Read original paper ↗ ·Synthesis, spectroscopic, SC-XRD characterizations and DFT based studies of ethyl2-(substituted-(2-benzylidenehydrazinyl))thiazole-4-carboxylate derivatives
Journal of Molecular Structure · 2019
Muhammad Haroon, Muhammad Khalid, Tashfeen Akhtar, Muhammad Nawaz Tahir, Muhammad Usman Khan, Muhammad Hamzah Saleem, Rifat Jawaria
Read original paper ↗ ·Structural and photophysical studies of triphenylamine-based nonlinear optical dyes: effects of π-linker moieties on the D-π-A structure
Comptes Rendus Chimie · 2019
Mohamed Bourass, Aziz El Alamy, Mohammed Bouachrıne
Read original paper ↗ ·Electron Donor and Acceptor Influence on the Nonlinear Optical Response of Diacetylene-Functionalized Organic Materials (DFOMs): Density Functional Theory Calculations
Molecules · 2019
Muhammad Khalid, Riaz Hussain, Ajaz Hussain, Bakhat Ali, Farrukh Jaleel, Muhammad Imran, Mohammed Ali Assiri, Muhammad Usman Khan, Saeed Ahmed, Saba Abid, Sadia Haq, Kaynat Saleem, Shumaila Majeed, Chaudhary Jahrukh Tariq
Read original paper ↗ ·Theoretical Assessment of the Second-Order Nonlinear Optical Responses of Lindqvist-Type Organoimido Polyoxometalates
Inorganic Chemistry · 2019
Emna Rtibi, Manef Abderrabba, Sameh Ayadi, Benoît R. Champagne
Read original paper ↗ ·Synthesis, XRD, spectral (IR, UV–Vis, NMR) characterization and quantum chemical exploration of benzoimidazole‐based hydrazones: A synergistic experimental‐computational analysis
Applied Organometallic Chemistry · 2019
Muhammad Rafiq, Muhammad Khalid, Muhammad Nawaz Tahir, Muhammad Umair Ahmad, Muhammad Usman Khan, Muhammad Moazzam Naseer, Ataualpa Albert Carmo Braga, Shabbir Muhammad, Zahid Shafiq
Read original paper ↗ ·Efficient Synthesis by Mono‐Carboxy Methylation of 4,4′‐Biphenol, X‐ray Diffraction, Spectroscopic Characterization and Computational Study of the Crystal Packing of Ethyl 2‐((4′‐hydroxy‐[1,1′‐biphenyl]‐4‐yl)oxy)acetate
ChemistrySelect · 2019
Burhan Khan, Muhammad Khalid, Muhammad Raza Shah, Muhammad Nawaz Tahir, Muhammad Usman Khan, Akbar Ali, Shabbir Muhammad
Read original paper ↗ ·Synthetic, spectroscopic, SC-XRD and nonlinear optical analysis of potent hydrazide derivatives: A comparative experimental and DFT/TD-DFT exploration
Journal of Molecular Structure · 2019
Burhan Khan, Muhammad Khalid, Muhammad Raza Shah, Muhammad Nawaz Tahir, Hafiz Muhammad Asif, H. A. Rahnamaye Aliabad, Ajaz Hussain
Read original paper ↗ ·Structural parameters, electronic, linear and nonlinear optical exploration of thiopyrimidine derivatives: A comparison between DFT/TDDFT and experimental study
Journal of Molecular Structure · 2019
Ajaz Hussain, Muhammad Usman Khan, Muhammad Ibrahim, Muhammad Khalid, Akbar Ali, Shafqat Hussain, Muhammad Hamzah Saleem, Naseeb Ahmad, Shabbir Muhammad, Abdullah Godran Al-Sehemi, Ayesha Sultan
Read original paper ↗ ·Synthesis, crystal structure, spectroscopic, electronic and nonlinear optical properties of potent thiazole based derivatives: Joint experimental and computational insight
Journal of Molecular Structure · 2019
Muhammad Haroon, Muhammad Khalid, Tashfeen Akhtar, Muhammad Nawaz Tahir, Muhammad Usman Khan, Shabbir Muhammad, Abdullah Godran Al-Sehemi, Shahid Hameed
Read original paper ↗ ·Synthesis and structural analysis of novel indole derivatives by XRD, spectroscopic and DFT studies
Journal of Molecular Structure · 2019
Sobia Tariq, Abdul Rauf Raza, Muhammad Khalid, Syeda Laila Rubab, Muhammad Usman Khan, Akbar Ali, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga
Read original paper ↗ ·First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole derivatives
RSC Advances · 2020
Muhammad Khalid, Akbar Ali, Rifat Jawaria, Muhammad Adnan Asghar, Sumreen Asim, Muhammad Usman Khan, Riaz Hussain, Muhammad Fayyaz ur Rehman, Christopher J. Ennis, Muhammad Safwan Akram
Read original paper ↗ ·A facile microwave assisted synthesis and structure elucidation of (3R)-3-alkyl-4,1-benzoxazepine-2,5-diones by crystallographic, spectroscopic and DFT studies
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2020
Abdul Rauf Raza, Bushra Nisar, Muhammad Khalid, Humaira Yasmeen Gondal, Muhammad Usman Khan, Sara Figueirêdo de Alcântara Morais, Muhammad Nawaz Tahir, Ataualpa Albert Carmo Braga
Read original paper ↗ ·