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First Principle Study of Electronic and Non-Linear Optical (NLO) Properties of Triphenylamine Dyes: Interactive Design Computation of New NLO Compounds 期刊论文
AUSTRALIAN JOURNAL OF CHEMISTRY, 2016, 卷号: 69, 期号: 4, 页码: 467-472
Authors:  Janjua, MRSA (Janjua, Muhammad Ramzan Saeed Ashraf);  Yamani, ZH (Yamani, Zain Hassan);  Jamil, S (Jamil, Saba);  Mahmood, A (Mahmood, Asif);  Ahmad, I (Ahmad, Imran);  Haroon, M (Haroon, Muhammad);  Tahir, MH (Tahir, Mudassir Hussain);  Yang, ZH (Yang, Zhihua);  Pan, SL (Pan, Shilie);  Janjua, MRSA
Adobe PDF(645Kb)  |  Favorite  |  View/Download:93/0  |  Submit date:2016/12/13
Electronic Absorption Spectra and Nonlinear Optical Properties of Ruthenium Acetylide Complexes: A DFT Study Toward the Designing of New High NLO Response Compounds 期刊论文
ACTA CHIMICA SLOVENICA, 2014, 卷号: 61, 期号: 2, 页码: 382-390
Authors:  Janjua, Muhammad Ramzan Saeed Ashraf;  Mahmood, Asif;  Nazar, Muhammad Faizan;  Yang, Zhihua;  Pan, Shilie
Adobe PDF(375Kb)  |  Favorite  |  View/Download:162/0  |  Submit date:2014/11/11
Ruthenium Acetylide  Density Functional Theory (Dft)  Non-linear Optics  
Quantum chemical perspective of efficient NLO materials based on dipolar trans-tetraammineruthenium (II) complexes with pyridinium and thiocyanate ligands: First theoretical framework 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1033, 期号: 4, 页码: 6-13
Authors:  Janjua, Muhammad Ramzan Saeed Ashraf;  Jamil, Saba;  Ahmad, Tauqeer;  Yang, Zhihua;  Mahmood, Asif;  Pan, Shilie
Adobe PDF(2191Kb)  |  Favorite  |  View/Download:139/0  |  Submit date:2014/11/11
Tetraammineruthenium  Acceptor  Cam-b3lyp  Hyperpolarizability  Nlo