195 related articles for article (PubMed ID: 21697001)
1. FT-IR, FT-Raman spectroscopy and computational study of (E)-4-((anthracen-9-ylmethylene)amino)-N-carbamimidoylbenzene sulfonamide.
Chandran A; Mary YS; Varghese HT; Panicker CY; Pazdera P; Rajendran G
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1584-92. PubMed ID: 21697001
[TBL] [Abstract][Full Text] [Related]
2. FT-IR, FT-Raman and computational study of (E)-N-carbamimidoyl-4-((4-methoxybenzylidene)amino)benzenesulfonamide.
Chandran A; Varghese HT; Mary YS; Panicker CY; Manojkumar TK; Van Alsenoy C; Rajendran G
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jun; 92():84-90. PubMed ID: 22446754
[TBL] [Abstract][Full Text] [Related]
3. FT-IR, FT-Raman and quantum chemical calculations of (E)-N-carbamimidoyl-4-((3,4-dimethoxybenzylidene) amino) benzenesulfonamide.
Chandran A; Varghese HT; Panicker CY; Manojkumar TK; Van Alsenoy C; Rajendran G
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 84(1):156-63. PubMed ID: 21983186
[TBL] [Abstract][Full Text] [Related]
4. Vibrational spectroscopic and quantum chemical calculations of (E)-N-Carbamimidoyl-4-((naphthalen-1-yl-methylene)amino)benzene sulfonamide.
Chandran A; Varghese HT; Mary YS; Panicker CY; Manojkumar TK; Van Alsenoy C; Rajendran G
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 87():29-39. PubMed ID: 22153592
[TBL] [Abstract][Full Text] [Related]
5. Quantum chemical DFT study of 4-azatricyclo [5.2.2.0(2,6)] undecane-3,5,8-trione.
Panicker CY; Varghese HT; Pillai KM; Mary YS; Raju K; Manojkumar TK; Bielenica A; Van Alsenoy C
Spectrochim Acta A Mol Biomol Spectrosc; 2010 May; 75(5):1559-65. PubMed ID: 20226726
[TBL] [Abstract][Full Text] [Related]
6. Spectroscopic investigations and computational study of 4-(3-bromopropyl)-4-azatricyclo [5.2.2.0(2,6)]undecane-3,5,8-trione.
Varghese HT; Panicker CY; Pillai KM; Sheena MY; Raju K; Manojkumar TK; Bielenica A; Van Alsenoy C
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Sep; 76(5):513-22. PubMed ID: 20471906
[TBL] [Abstract][Full Text] [Related]
7. Vibrational spectroscopic (FT-IR, FT-Raman, SERS) and quantum chemical calculations of 3-(10,10-dimethyl-anthracen-9-ylidene)-N,N,N-trimethylpropanaminiium chloride (Melitracenium chloride).
Mary YS; Jojo PJ; Van Alsenoy C; Kaur M; Siddegowda MS; Yathirajan HS; Nogueira HI; Cruz SM
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():370-80. PubMed ID: 24200651
[TBL] [Abstract][Full Text] [Related]
8. Vibrational spectroscopic studies and computational calculations of 5-chloro-2-(3-chlorophenylcarbamoyl)phenylacetate.
Madhavan VS; Mary YS; Varghese HT; Panicker CY; Mathew S; Van Alsenoy C; Vinsova J
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr; 89():308-16. PubMed ID: 22297035
[TBL] [Abstract][Full Text] [Related]
9. Theoretical and experimental calculations, Mulliken charges and thermodynamic properties of 4-chloro-2-nitroanisole.
Arunagiri C; Arivazhagan M; Subashini A; Maruthaiveeran N
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Oct; 131():647-56. PubMed ID: 24915766
[TBL] [Abstract][Full Text] [Related]
10. DFT simulations and vibrational analysis of FT-IR and FT-Raman spectra of 2,4-diamino-6-hydroxypyrimidine.
Subramanian MK; Anbarasan PM; Manimegalai S
Spectrochim Acta A Mol Biomol Spectrosc; 2009 Aug; 73(4):642-9. PubMed ID: 19406685
[TBL] [Abstract][Full Text] [Related]
11. FT-IR, FT-Raman spectra and quantum chemical calculations of 3,4-dimethoxyaniline.
Sundaraganesan N; Priya M; Meganathan C; Joshua BD; Cornard JP
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jun; 70(1):50-9. PubMed ID: 17765601
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N'-dimethylamino pyridine.
Sundaraganesan N; Kalaichelvan S; Meganathan C; Joshua BD; Cornard J
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Dec; 71(3):898-906. PubMed ID: 18358770
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. 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]
16. FT-IR, FT-Raman spectra and quantum chemical calculations of some chloro substituted phenoxy acetic acids.
Sundaraganesan N; Meganathan C; Karthikeyan B
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Jul; 70(2):430-8. PubMed ID: 18282793
[TBL] [Abstract][Full Text] [Related]
17. IR, Raman, SERS and computational study of 2-(benzylsulfanyl)-3,5-dinitrobenzoic acid.
Raj A; Sheena Mary Y; Yohannan Panicker C; Varghese HT; Raju K
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Sep; 113():28-36. PubMed ID: 23708374
[TBL] [Abstract][Full Text] [Related]
18. FT-IR, NIR-FT-Raman and gas phase infrared spectra of 3-aminoacetophenone by density functional theory and ab initio Hartree-Fock calculations.
Subramanian MK; Anbarasan PM; Ilangovan V; Babu SM
Spectrochim Acta A Mol Biomol Spectrosc; 2008 Nov; 71(1):59-67. PubMed ID: 18178129
[TBL] [Abstract][Full Text] [Related]
19. FT-IR, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}1H-1,2,4-triazole-5(4H)-thione.
Panicker CY; Varghese HT; Manjula PS; Sarojini BK; Narayana B; War JA; Srivastava SK; Van Alsenoy C; Al-Saadi AA
Spectrochim Acta A Mol Biomol Spectrosc; 2015; 151():198-207. PubMed ID: 26142174
[TBL] [Abstract][Full Text] [Related]
20. Vibrational spectroscopic studies (FT-IR, FT-Raman, SERS) and quantum chemical calculations on cyclobenzaprinium salicylate.
Mary YS; Jojo PJ; Van Alsenoy C; Kaur M; Siddegowda MS; Yathirajan HS; Nogueira HI; Cruz SM
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 120():340-50. PubMed ID: 24200648
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
