These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
622 related articles for article (PubMed ID: 22542395)
1. Vanillin and isovanillin: comparative vibrational spectroscopic studies, conformational stability and NLO properties by density functional theory calculations. Balachandran V; Parimala K Spectrochim Acta A Mol Biomol Spectrosc; 2012 Sep; 95():354-68. PubMed ID: 22542395 [TBL] [Abstract][Full Text] [Related]
2. Molecular structure, spectroscopic (FT-IR, FT-Raman, NMR, UV) studies and first-order molecular hyperpolarizabilities of 1,2-bis(3-methoxy-4-hydroxybenzylidene)hydrazine by density functional method. Subramanian N; Sundaraganesan N; Jayabharathi J Spectrochim Acta A Mol Biomol Spectrosc; 2010 Jul; 76(2):259-69. PubMed ID: 20413344 [TBL] [Abstract][Full Text] [Related]
3. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations. Arivazhagan M; Subhasini VP; Austine A Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 86():205-13. PubMed ID: 22074887 [TBL] [Abstract][Full Text] [Related]
4. Vibrational study, first hyperpolarizability and HOMO-LUMO analyses on the structure of 2-hydroxy-6-nitro toluene. Arivazhagan M; Thilagavathi G Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():411-8. PubMed ID: 22402481 [TBL] [Abstract][Full Text] [Related]
5. Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations. Balachandran V; Murugan M; Nataraj A; Karnan M; Ilango G Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():538-49. PubMed ID: 24892532 [TBL] [Abstract][Full Text] [Related]
6. 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; 97():1101-10. PubMed ID: 22929905 [TBL] [Abstract][Full Text] [Related]
7. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 1,2-dichloro-4-nitrobenzene based on Hartree-Fock and DFT calculations. Arivazhagan M; Jeyavijayan S Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jul; 79(2):376-83. PubMed ID: 21466973 [TBL] [Abstract][Full Text] [Related]
8. Conformational stability, vibrational spectra, HOMO-LUMO and NBO analysis of 1,3,4-thiadiazolidine-2,5-dithione with experimental (FT-IR and FT-Raman) techniques and scaled quantum mechanical calculations. Xavier RJ; Dinesh P Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():171-81. PubMed ID: 23727670 [TBL] [Abstract][Full Text] [Related]
9. Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime. Ramalingam S; Karabacak M; Periandy S; Puviarasan N; Tanuja D Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():207-20. PubMed ID: 22683556 [TBL] [Abstract][Full Text] [Related]
10. 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; 86():159-73. PubMed ID: 22137747 [TBL] [Abstract][Full Text] [Related]
11. Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene. Arunagiri C; Arivazhagan M; Subashini A Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1747-56. PubMed ID: 21680229 [TBL] [Abstract][Full Text] [Related]
12. Molecular structure, spectroscopic studies and first-order molecular hyperpolarizabilities of ferulic acid by density functional study. Sebastian S; Sundaraganesan N; Manoharan S Spectrochim Acta A Mol Biomol Spectrosc; 2009 Oct; 74(2):312-23. PubMed ID: 19581124 [TBL] [Abstract][Full Text] [Related]
13. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis. Asiri AM; Karabacak M; Kurt M; Alamry KA Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov; 82(1):444-55. PubMed ID: 21856218 [TBL] [Abstract][Full Text] [Related]
14. 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; 97():892-908. PubMed ID: 22902933 [TBL] [Abstract][Full Text] [Related]
15. Quantum chemical studies, vibrational analysis, molecular structure, first order hyper polarizability, NBO and HOMO-LUMO analysis of 3-hydroxybenzaldehyde and its cation. Muthu S; Prasath M Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():789-99. PubMed ID: 23892343 [TBL] [Abstract][Full Text] [Related]
16. Rotational isomers, density functional theory, vibrational spectroscopic studies, thermodynamic functions, NBO and HOMO-LUMO analyses of 2,6-Bis(chloromethyl)pyridine. Balachandran V; Lalitha S; Rajeswari S Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():1023-32. PubMed ID: 22925978 [TBL] [Abstract][Full Text] [Related]
17. 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; 96():668-76. PubMed ID: 22885079 [TBL] [Abstract][Full Text] [Related]
18. Quantum mechanical study of the structure and vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizability, NBO and HOMO-LUMO studies of 4-bromo-3-nitroanisole. Balachandran V; Karunakaran V Spectrochim Acta A Mol Biomol Spectrosc; 2013 Apr; 106():284-98. PubMed ID: 23416886 [TBL] [Abstract][Full Text] [Related]
19. The spectroscopic (FT-IR, FT-Raman), NCA, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of L-cysteine by ab inito HF and density functional method. Chandra S; Saleem H; Sebastian S; Sundaraganesan N Spectrochim Acta A Mol Biomol Spectrosc; 2011 May; 78(5):1515-24. PubMed ID: 21377921 [TBL] [Abstract][Full Text] [Related]
20. Experimental (FT-IR and FT-Raman), electronic structure and DFT studies on 1-methoxynaphthalene. Govindarajan M; Ganasan K; Periandy S; Karabacak M Spectrochim Acta A Mol Biomol Spectrosc; 2011 Aug; 79(3):646-53. PubMed ID: 21530378 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]