314 related articles for article (PubMed ID: 24769362)
41. IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-aminouracil.
Singh JS
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():313-28. PubMed ID: 24793482
[TBL] [Abstract][Full Text] [Related]
42. Molecular structure and vibrational analysis of 3-Ethylpyridine using ab initio HF and density functional theory (B3LYP) calculations.
Shakila G; Periandy S; Ramalingam S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):732-9. PubMed ID: 21183400
[TBL] [Abstract][Full Text] [Related]
43. Spectroscopic investigation, computed IR intensity, Raman activity and vibrational frequency analysis on 3-bromoanisole using HF and DFT (LSDA/MPW1PW91) calculations.
Ramalingam S; Periandy S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):835-43. PubMed ID: 21216183
[TBL] [Abstract][Full Text] [Related]
44. Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations.
Karabacak M; Bilgili S; Mavis T; Eskici M; Atac A
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():709-18. PubMed ID: 23886506
[TBL] [Abstract][Full Text] [Related]
45. Determination of conformational and spectroscopic features of ethyl trans-alfa-cyano-3-indole-acrylate compound: an experimental and quantum chemical study.
Cinar M; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():428-36. PubMed ID: 23274474
[TBL] [Abstract][Full Text] [Related]
46. Vibrational spectroscopy investigation using ab initio and DFT vibrational analysis of 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepine-4-oxide.
Prasath M; Muthu S; Arun Balaji R
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():224-35. PubMed ID: 23732619
[TBL] [Abstract][Full Text] [Related]
47. Quantum chemical studies on structure of 2-amino-5-nitropyrimidine.
Arivazhagan M; Subhasini VP
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 91():402-10. PubMed ID: 22402480
[TBL] [Abstract][Full Text] [Related]
48. FT-IR, FT-Raman vibrational spectra and molecular structure investigation of 2-chloro-4-methylaniline: a combined experimental and theoretical study.
Karabacak M; Karagöz D; Kurt M
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Jun; 72(5):1076-83. PubMed ID: 19213598
[TBL] [Abstract][Full Text] [Related]
49. Conformational stability, spectroscopic (FT-IR & FT-Raman), HOMO-LUMO, NBO and thermodynamic function of 4-(trifloromethoxy) phenol.
Balachandran V; Murugan M; Karpagam V; Karnan M; Ilango G
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():367-75. PubMed ID: 24810022
[TBL] [Abstract][Full Text] [Related]
50. 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; 125():239-51. PubMed ID: 24556133
[TBL] [Abstract][Full Text] [Related]
51. 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]
52. Synthesis, molecular structure, FT-IR, Raman, XRD and theoretical investigations of (2E)-1-(5-chlorothiophen-2-yl)-3-(naphthalen-2-yl)prop-2-en-1-one.
Chidan Kumar CS; Fun HK; Parlak C; Rhyman L; Ramasami P; Tursun M; Chandraju S; Quah CK
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():174-82. PubMed ID: 24858359
[TBL] [Abstract][Full Text] [Related]
53. Vibrational (FT-IR and FT-Raman), electronic (UV-Vis), NMR (1H and 13C) spectra and reactivity analyses of 4,5-dimethyl-o-phenylenediamine.
Atac A; Karaca C; Gunnaz S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():516-25. PubMed ID: 24813280
[TBL] [Abstract][Full Text] [Related]
54. Experimental and theoretical studies on the vibrational spectra of trans-3-phenylacryloyl chloride.
Tao Y; Han L; Han Y; Liu Z
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 137():892-8. PubMed ID: 25280337
[TBL] [Abstract][Full Text] [Related]
55. Molecular geometry, conformational, vibrational spectroscopic, molecular orbital and Mulliken charge analysis of 2-acetoxybenzoic acid.
Govindasamy P; Gunasekaran S; Srinivasan S
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep; 130():329-36. PubMed ID: 24793483
[TBL] [Abstract][Full Text] [Related]
56. 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]
57. FT-IR, FT-Raman and UV-Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin.
Udaya Sri N; Chaitanya K; Prasad MV; Veeraiah V; Veeraiah A
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():728-36. PubMed ID: 22892370
[TBL] [Abstract][Full Text] [Related]
58. Molecular structure, vibrational spectroscopic (FT-IR, FT-Raman), UV and NBO analysis of 2-chlorobenzonitrile by density functional method.
Krishnan AR; Saleem H; Subashchandrabose S; Sundaraganesan N; Sebastain S
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):582-9. PubMed ID: 21190895
[TBL] [Abstract][Full Text] [Related]
59. Experimental and theoretical FT-IR, Raman and XRD study of 2-acetyl-5-chlorothiophene.
Chidan Kumar CS; Parlak C; Fun HK; Tursun M; Keşan G; Chandraju S; Quah CK
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jun; 127():67-73. PubMed ID: 24632158
[TBL] [Abstract][Full Text] [Related]
60. Molecular structure and vibrational spectroscopic studies of prothionamide by density functional theory.
Yilmaz A; Bolukbasi O
Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan; 152():262-71. PubMed ID: 26219021
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
