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Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculationsSinha, Leena; Karabacak, Mehmet; Narayan, V.; Cinar, Mehmet; Prasad, Onkar · Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy · 2013
Molecular structure (monomeric and dimeric structure) and HOMO–LUMO analysis of 2-aminonicotinic acid: A comparison of calculated spectroscopic properties with FT-IR and UV–visMehmet Karabacak; Etem Kose; Ahmet Atac · 2012
Molecular Structure, Spectroscopic (FT-IR, FT-Raman, 13C and 1H NMR) Analysis, HOMO-LUMO Energies, Mulliken, MEP and Thermal Properties of New Chalcone Derivative by DFT CalculationPriya, M. Krishna; Revathi, B.K.; Renuka, V.; Sathya, S.; Asirvatham, P. Samuel · Materials Today: Proceedings · 2019
Molecular structure, optoelectronic properties, spectroscopic (FT-IR, FT-Raman and UV-Vis), H-BDE, NBO and Drug likeness investigations on 7, 8-benzocoumarin-4-acetic acid (7BAA)Khemalapure, Seema S.; Katti, Vinay S.; Hiremath, Chidanandayya S.; Basanagouda, Mahantesha; Hiremath, Sudhir M.; Armaković, Sanja J.; Armaković, Stevan · Journal of Molecular Structure · 2019
Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV–vis spectra, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis, thermodynamic properties of benzophenone 2,4-dicarboxylic acid by ab initio HF and density functional methodK. Chaitanya · 2012
Molecular structures, spectroscopic (FT–IR, NMR, UV) studies, NBO analysis and NLO properties for tautomeric forms of 1,3-dimethyl-5-(phenylazo)-6-aminouracil by density functional methodEşme, Aslı; Sağdınç, Seda Güneşdoğdu · Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy · 2017
Molecular structure interpretation, spectroscopic (FT-IR, FT-Raman), electronic solvation (UV–Vis, HOMO-LUMO and NLO) properties and biological evaluation of (2E)-3-(biphenyl-4-yl)-1-(4-bromophenyl)prop-2-en-1-one: Experimental and computational modeling approachThamarai, A.; Vadamalar, R.; Raja, M.; Muthu, S.; Narayana, B.; Ramesh, P.; Muhamed, R. Raj; Sevvanthi, S.; Aayisha, S. · Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy · 2020
XeI barrier discharge excilampAvdeev, S. M.; Zvereva, G. N.; Sosnin, E. A.; Tarasenko, V. F. · Optics and Spectroscopy · 2013
Achromatic polarimeterGurevich, A. S.; Tatarintsev, S. A.; Zyakin, B. A. · Optics and Spectroscopy · 2014
Semiconductor laser linewidthTitov, E. A. · Optics and Spectroscopy · 2015
Radiative transitions in quasi-moleculesDevdariani, A. Z. · Optics and Spectroscopy · 2015
Laser plasma ionographyAndreev, A. A.; Komarov, V. A.; Platonov, K. Yu.; Charukhchev, A. V. · Optics and Spectroscopy · 2015
Absolute stability of dynamic cavitiesRosanov, N. N. · Optics and Spectroscopy · 2015
F3−molecular ions in fluoride crystalsRadzhabov, E. A. · Optics and Spectroscopy · 2016
Soliton laser: Geometry and stabilityOkulov, A. Yu. · Optics and Spectroscopy · 2000