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1209 related items for PubMed ID: 24508892
1. FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid. Mahalakshmi G, Balachandran V. Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():535-47. PubMed ID: 24508892 [Abstract] [Full Text] [Related]
2. FT-IR, FT-Raman, ab initio and DFT structural, vibrational frequency and HOMO-LUMO analysis of 1-naphthaleneacetic acid methyl ester. Nagabalasubramanian PB, Karabacak M, Periandy S. Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov 24; 82(1):169-80. PubMed ID: 21820351 [Abstract] [Full Text] [Related]
4. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis. Karabacak M, Kose E, Atac A, Ali Cipiloglu M, Kurt M. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 24; 97():892-908. PubMed ID: 22902933 [Abstract] [Full Text] [Related]
5. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods. Muthu S, Ramachandran G. Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 24; 121():394-403. PubMed ID: 24280302 [Abstract] [Full Text] [Related]
7. DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid. Karabacak M, Kose E, Sas EB, Kurt M, Asiri AM, Atac A. Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():306-20. PubMed ID: 25448934 [Abstract] [Full Text] [Related]
8. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods. Rajamani T, Muthu S, Karabacak M. Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 05; 108():186-96. PubMed ID: 23474478 [Abstract] [Full Text] [Related]
9. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra. Karabacak M, Sinha L, Prasad O, Asiri AM, Cinar M. Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 05; 115():753-66. PubMed ID: 23892116 [Abstract] [Full Text] [Related]
10. Vibrational spectra, NBO analysis, first order hyperpolarizabilities, thermodynamic functions and NMR chemical shielding anisotropy (CSA) parameters of 5-nitro-2-furoic acid by ab initio HF and DFT calculations. Balachandran V, Rajeswari S, Lalitha S. Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep 05; 113():268-80. PubMed ID: 23735205 [Abstract] [Full Text] [Related]
12. FT-IR, FT-Raman, NMR and UV-Vis spectra and DFT calculations of 5-bromo-2-ethoxyphenylboronic acid (monomer and dimer structures). Sas EB, Kose E, Kurt M, Karabacak M. Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():1315-33. PubMed ID: 25305625 [Abstract] [Full Text] [Related]
13. Studies of the molecular geometry, vibrational spectra, frontier molecular orbital, nonlinear optical and thermodynamics properties of aceclofenac by quantum chemical calculations. Suresh S, Gunasekaran S, Srinivasan S. Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 05; 125():239-51. PubMed ID: 24556133 [Abstract] [Full Text] [Related]
14. Vibrational analysis using FT-IR, FT-Raman spectra and HF-DFT methods and NBO, NLO, NMR, HOMO-LUMO, UV and electronic transitions studies on 2,2,4-trimethyl pentane. Suvitha A, Periandy S, Govindarajan M, Gayathri P. Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 05; 138():900-12. PubMed ID: 25459692 [Abstract] [Full Text] [Related]
15. Spectroscopic (FT-IR, FT-Raman, NMR and UV-Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid. Suresh S, Gunasekaran S, Srinivasan S. Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():130-41. PubMed ID: 24858354 [Abstract] [Full Text] [Related]
16. Molecular structure (monomeric and dimeric) and hydrogen bonds in 5-benzyl 2-thiohydantoin studied by FT-IR and FT-Raman spectroscopy and DFT calculations. Deval V, Kumar A, Gupta V, Sharma A, Gupta A, Tandon P, Kunimoto KK. Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():15-26. PubMed ID: 24845873 [Abstract] [Full Text] [Related]
17. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol. Moorthi PP, Gunasekaran S, Swaminathan S, Ramkumaar GR. Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():412-22. PubMed ID: 25233034 [Abstract] [Full Text] [Related]
18. 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 method. Chaitanya K. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 25; 86():159-73. PubMed ID: 22137747 [Abstract] [Full Text] [Related]
19. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline. Arivazhagan M, Anitha Rexalin D. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 25; 96():668-76. PubMed ID: 22885079 [Abstract] [Full Text] [Related]
20. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine. Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A. Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 25; 97():1101-10. PubMed ID: 22929905 [Abstract] [Full Text] [Related] Page: [Next] [New Search]