| Effect of asymmetrical peripheral substitution of sulfonic acid group on the geometric and electronic structures and vibrations of copper phthalocyanine studied by … P Kaur, R Sachdeva, R Singh, N Soleimanioun, S Singh, GSS Saini Journal of Molecular Structure 1175, 314-334, 2019 | 11 | 2019 |
| Computational study of effect of solvents on vibrational spectra of coumarin 500 R Singh, P Kaur, R Sachdeva, JS Grewal, V Sathe, GSS Saini Computational and Theoretical Chemistry 1130, 46-57, 2018 | 5 | 2018 |
| DFT study of the effect of substitution on the molecular structure of copper phthalocyanine P Kaur, R Sachdeva, S Singh, GSS Saini AIP Conference Proceedings 1728 (1), 020281, 2016 | 4 | 2016 |
| Effect of Pyridine on the Structure and Vibrations of Cobalt Phthalocyanine P Kaur, SD Dogra, R Sachdeva, R Singh, S Singh, SK Tripathi, GSS Saini Materials Today: Proceedings 21, 1809-1817, 2020 | 3 | 2020 |
| Computational study of frontier orbitals, moments, chemical reactivity and thermodynamic parameters of sildenafil R Sachdeva, P Kaur, VP Singh, GSS Saini AIP conference proceedings 1728 (1), 020296, 2016 | 2 | 2016 |
| Density functional theory studies of etoricoxib R Sachdeva, P Kaur, VP Singh, GSS Saini AIP Conference Proceedings 1728 (1), 2016 | 1 | 2016 |
| Study of geometric, electronic structures and vibrations of 4, 4, 4, 4-(porphine-5,10,15,20 tetrayl) tetrakis (benzene sulfonic acid) compound by computational … P Kaur Journal of Porphyrins and Phthalocyanines 25 (04), 343-358, 2021 | | 2021 |
| Experimental and Theoretical Vibrational Spectroscopic Analysis of Etoricoxib R Sachdeva, P Kaur, A Soni, R Singh, V Sathe, VP Singh, GSS Saini Materials Today: Proceedings 21, 1981-1990, 2020 | | 2020 |
| Effect of aqueous medium on molecular structure, vibrations, electronic transitions and natural bond orbitals of carbamazepine: A DFT study R Sachdeva, P Kaur, A Soni, VP Singh, GSS Saini Integrated Ferroelectrics 185 (1), 109-126, 2017 | | 2017 |
| Theoretical investigation of the electronic structure of a substituted nickel phthalocyanine P Kaur, R Sachdeva, S Singh AIP Conference Proceedings 1731 (1), 2016 | | 2016 |
