Janjua MR - Search Results

1

Prediction of remarkably large second-order nonlinear optical properties of organoimido-substituted hexamolybdates.

Janjua MR, Liu CG, Guan W, Zhuang J, Muhammad S, Yan LK, Su ZM. Janjua MR, et al. J Phys Chem A. 2009 Apr 16;113(15):3576-87. doi: 10.1021/jp808707q. J Phys Chem A. 2009. PMID: 19298074

2

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

Janjua MR, Guan W, Yan L, Su ZM, Ali M, Bukhari IH. Janjua MR, et al. J Mol Graph Model. 2010 Jun;28(8):735-45. doi: 10.1016/j.jmgm.2010.01.011. Epub 2010 Feb 4. J Mol Graph Model. 2010. PMID: 20188613

3

Quantum chemical study of benzimidazole derivatives to tune the second-order nonlinear optical molecular switching by proton abstraction.

Muhammad S, Xu H, Janjua MR, Su Z, Nadeem M. Muhammad S, et al. Among authors: janjua mr. Phys Chem Chem Phys. 2010 May 14;12(18):4791-9. doi: 10.1039/b924241d. Epub 2010 Mar 24. Phys Chem Chem Phys. 2010. PMID: 20428560

4

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.

Janjua MR. Janjua MR. Inorg Chem. 2012 Nov 5;51(21):11306-14. doi: 10.1021/ic3002652. Epub 2012 Oct 17. Inorg Chem. 2012. PMID: 23075454

5

The influence of hydrogen bonding on the nonlinear optical properties of a semiorganic material NH4B[D-(+)-C4H4O5]2·H2O: a theoretical perspective.

Lei C, Yang Z, Zhang B, Lee MH, Jing Q, Chen Z, Huang XC, Wang Y, Pan S, Janjua MR. Lei C, et al. Among authors: janjua mr. Phys Chem Chem Phys. 2014 Oct 7;16(37):20089-96. doi: 10.1039/c4cp02539c. Phys Chem Chem Phys. 2014. PMID: 25132531

6

Prediction and Understanding: Quantum Chemical Framework of Transition Metals Enclosed in a B₁₂N₁₂ Inorganic Nanocluster for Adsorption and Removal of DDT from the Environment.

Janjua MRSA. Janjua MRSA. Inorg Chem. 2021 Jul 19;60(14):10837-10847. doi: 10.1021/acs.inorgchem.1c01760. Epub 2021 Jul 7. Inorg Chem. 2021. PMID: 34231358

7

Ab Initio Calculations of the Interaction Potential of the N₂O-N₂O Dimer: Strength of the Intermolecular Interactions and Physical Insights.

Gill WA, Janjua MRSA. Gill WA, et al. Among authors: janjua mrsa. J Phys Chem A. 2023 Aug 3;127(30):6175-6185. doi: 10.1021/acs.jpca.3c02634. Epub 2023 Jul 21. J Phys Chem A. 2023. PMID: 37478471

8

Exploring the Adsorption Mechanism of N₂O on Graphene: A DFT Study on Circum-Coronene for Catalysis, Sensing, and Energy Storage Applications.

Gill WA, Janjua MRSA. Gill WA, et al. Among authors: janjua mrsa. J Phys Chem A. 2023 Jul 6;127(26):5591-5601. doi: 10.1021/acs.jpca.3c03133. Epub 2023 Jun 23. J Phys Chem A. 2023. PMID: 37350188

9

Electronic absorption spectra and nonlinear optical properties of ruthenium acetylide complexes: a DFT study toward the designing of new high NLO response compounds.

Janjua MR, Mahmood A, Nazar MF, Yang Z, Pan S. Janjua MR, et al. Acta Chim Slov. 2014;61(2):382-90. Acta Chim Slov. 2014. PMID: 25125122

10

Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials.

Mutailipu M, Xie Z, Su X, Zhang M, Wang Y, Yang Z, Janjua MRSA, Pan S. Mutailipu M, et al. J Am Chem Soc. 2017 Dec 20;139(50):18397-18405. doi: 10.1021/jacs.7b11263. Epub 2017 Dec 7. J Am Chem Soc. 2017. PMID: 29161810

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