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.
116 related articles for article (PubMed ID: 25004897)
21. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule. Muthu S; Elamurugu Porchelvi E Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():275-86. PubMed ID: 23845985 [TBL] [Abstract][Full Text] [Related]
22. Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 5-tert-Butyl-6-chloro-N-[(4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide. Bhagyasree JB; Varghese HT; Panicker CY; Van Alsenoy C; Al-Saadi AA; Dolezal M; Samuel J Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():193-206. PubMed ID: 25218229 [TBL] [Abstract][Full Text] [Related]
23. Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4'-Nitrobiphenyl by density functional theory. Govindarasu K; Kavitha E Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():130-41. PubMed ID: 24299985 [TBL] [Abstract][Full Text] [Related]
24. Vibrational spectra, molecular structure, NBO, HOMO-LUMO and first order hyperpoalarizability analysis of 1,4-bis(4-formylphenyl)anthraquinone by density functional theory. Renjith R; Mary YS; Varghese HT; Panicker CY; Thiemann T; Van Alsenoy C Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct; 131():225-34. PubMed ID: 24835730 [TBL] [Abstract][Full Text] [Related]
25. Theoretical investigations on the molecular structure, vibrational spectra, HOMO-LUMO and NBO analysis of 5-chloro-2-((4-chlorophenoxy)methyl)benzimidazole. Mary YS; Jojo PJ; Panicker CY; Van Alsenoy C; Ataei S; Yildiz I Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():499-511. PubMed ID: 24334013 [TBL] [Abstract][Full Text] [Related]
26. Synthesis, structural, spectroscopic studies, NBO analysis, NLO and HOMO-LUMO of 4-methyl-N-(3-nitrophenyl)benzene sulfonamide with experimental and theoretical approaches. Sarojini K; Krishnan H; Kanakam CC; Muthu S Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():159-70. PubMed ID: 23466326 [TBL] [Abstract][Full Text] [Related]
27. Synthesis, FT-IR investigation and computational study of 5-[(4-Bromophenyl)acetamido]-2-(4-tert-butylphenyl) benzoxazole. Bhagyasree JB; Samuel J; Varghese HT; Panicker CY; Arisoy M; Temiz-Arpaci O Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():79-91. PubMed ID: 23831982 [TBL] [Abstract][Full Text] [Related]
28. Theoretical investigations on molecular structure, vibrational spectra, HOMO, LUMO, NBO analysis and hyperpolarizability calculations of thiophene-2-carbohydrazide. Balachandran V; Janaki A; Nataraj A Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():321-30. PubMed ID: 24060478 [TBL] [Abstract][Full Text] [Related]
29. 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; 132():130-41. PubMed ID: 24858354 [TBL] [Abstract][Full Text] [Related]
30. 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]
31. Vibrational and UV spectra, first order hyperpolarizability, NBO and HOMO-LUMO analysis of 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoyl-benzamide. Muthu S; Rajamani T; Karabacak M; Asiri AM Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar; 122():1-14. PubMed ID: 24291448 [TBL] [Abstract][Full Text] [Related]
32. Spectroscopic investigation (FT-IR, FT-Raman), HOMO-LUMO, NBO analysis and molecular docking study of 2-[(4-chlorobenzyl)sulfanyl]-4-(2-methylpropyl)-6-[3-trifluoromethyl)-anilino]pyrimidine-5-carbonitrile, a potential chemotherapeutic agent. Al-Omary FA; Raj A; Raju K; Panicker CY; Haress NG; El-Emam AA; El-Ashmawy MB; Al-Saadi AA; Van Alsenoy C; War JA Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():520-33. PubMed ID: 25448953 [TBL] [Abstract][Full Text] [Related]
33. Experimental and theoretical investigation of the molecular structure, conformational stability, hyperpolarizability, electrostatic potential, thermodynamic properties and NMR spectra of pharmaceutical important molecule: 4'-methylpropiophenone. Karunakaran V; Balachandran V Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():1-14. PubMed ID: 24657464 [TBL] [Abstract][Full Text] [Related]
34. Molecular conformational analysis, vibrational spectra, NBO analysis and first hyperpolarizability of (2E)-3-phenylprop-2-enoic anhydride based on density functional theory calculations. Sheena Mary Y; Raju K; Panicker CY; Al-Saadi AA; Thiemann T; Van Alsenoy C Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul; 128():638-46. PubMed ID: 24704480 [TBL] [Abstract][Full Text] [Related]
35. Vibrational spectroscopic studies (FT-IR, FT-Raman) and quantum chemical calculations on 5-(Adamantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, a potential chemotherapeutic agent. Al-Abdullah ES; Sebastian SS; Al-Wabli RI; El-Emam AA; Panicker CY; Van Alsenoy C Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec; 133():605-18. PubMed ID: 24992920 [TBL] [Abstract][Full Text] [Related]
36. Vibrational spectroscopic and computational study of 1,7,8,9-Tetrachloro-4-(4-bromo-butyl)-10,10-dimethoxy-4-aza-tricyclo[5.2.1.0(2,6)] dec-8-ene-3,5-dione. Renjith R; Mary YS; Panicker CY; Varghese HT; Pakosińska-Parys M; Alsenoy CV; Manojkumar TK Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr; 124():480-91. PubMed ID: 24508886 [TBL] [Abstract][Full Text] [Related]
37. 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]
38. Acid-base properties, FT-IR, FT-Raman spectroscopy and computational study of 1-(pyrid-4-yl)piperazine. Mary YS; Panicker CY; Varghese HT; Van Alsenoy C; Procházková M; Sevčík R; Pazdera P Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():436-44. PubMed ID: 24287053 [TBL] [Abstract][Full Text] [Related]
39. Spectroscopic (FT-IR, FT-Raman) investigations and quantum chemical calculations of 1,7,8,9-tetrachloro-10,10-dimethoxy-4-{3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl}-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione. Renjith R; Sheena Mary Y; Yohannan Panicker C; Varghese HT; Pakosińska-Parys M; Van Alsenoy C; Al-Saadi AA Spectrochim Acta A Mol Biomol Spectrosc; 2014 Aug; 129():438-50. PubMed ID: 24747931 [TBL] [Abstract][Full Text] [Related]
40. Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, UV-Visible) study, potential energy surface scan, Fukui function analysis and HOMO-LUMO analysis of 3-tert-butyl-4-methoxyphenol by DFT methods. Saravanan S; Balachandran V Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():604-20. PubMed ID: 24813291 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]