850 related articles for article (PubMed ID: 24291425)
1. Experimental and DFT studies on the vibrational and electronic spectra and NBO analysis of 2-amino-3-((E)-(9-p-tolyl-9H-carbazol-3-yl) methyleneamino) maleonitrile.
Meng N; Zhang Y; Wang Y; Ma K; Zhao J; Tang G
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():494-507. PubMed ID: 24291425
[TBL] [Abstract][Full Text] [Related]
2. Experimental and DFT studies on the vibrational and electronic spectra of 9-p-tolyl-9H-carbazole-3-carbaldehyde.
Wang Y; Zhang Y; Ni H; Meng N; Ma K; Zhao J; Zhu D
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():296-306. PubMed ID: 25078462
[TBL] [Abstract][Full Text] [Related]
3. Synthesis, structural characterization and theoretical approach of 3-(2,6-dichlorobenzyl)-5-methyl-N-nitro-1,3,5-oxadiazinan-4-imine.
Ni H; Zhang Y; Zhang F; Zhao J; Wu L; Chu X
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 138():648-59. PubMed ID: 25541404
[TBL] [Abstract][Full Text] [Related]
4. Experimental and DFT studies on the vibrational, electronic spectra and NBO analysis of thiamethoxam.
Zhang F; Zhang Y; Ni H; Ma K; Li R
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():162-71. PubMed ID: 24051285
[TBL] [Abstract][Full Text] [Related]
5. Experimental and DFT studies on the vibrational and electronic spectra of 4,5-dihydro-6-methyl-4-[(E)-(3-pyridinylmethylene)amino]-1,2,4-triazin-3(2H)-one.
Zhang Y; Zhou H; Jiang Z; Li R
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Dec; 83(1):112-9. PubMed ID: 21962381
[TBL] [Abstract][Full Text] [Related]
6. Experimental and DFT studies on the vibrational and electronic spectra of 1,5-dimethyl-2-phenyl-4-[(pyridin-4-ylmethylene)-amino]-1,2-dihydro-pyrazol-3-one.
Zhang Y; Zhao J; Li R; Jiang Z; Tang G
Spectrochim Acta A Mol Biomol Spectrosc; 2010 Nov; 77(4):732-9. PubMed ID: 20705503
[TBL] [Abstract][Full Text] [Related]
7. Density functional theory (DFT) and natural bond orbital (NBO) study of vibrational spectra and intramolecular hydrogen bond interaction of L-ornithine-L-aspartate.
Li L; Wu C; Wang Z; Zhao L; Li Z; Sun C; Sun T
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb; 136 Pt B():338-46. PubMed ID: 25448937
[TBL] [Abstract][Full Text] [Related]
8. 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; 124():535-47. PubMed ID: 24508892
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile.
Demircioğlu Z; Kaştaş ÇA; Büyükgüngör O
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar; 139():539-48. PubMed ID: 25579656
[TBL] [Abstract][Full Text] [Related]
11. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.
Agarwal P; Bee S; Gupta A; Tandon P; Rastogi VK; Mishra S; Rawat P
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():464-82. PubMed ID: 24287056
[TBL] [Abstract][Full Text] [Related]
12. 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; 132():15-26. PubMed ID: 24845873
[TBL] [Abstract][Full Text] [Related]
13. 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; 108():186-96. PubMed ID: 23474478
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. Experimental and DFT studies on the vibrational and electronic spectra of 9-anthracenemethanol.
Kou S; Zhou H; Tang G; Li R; Zhang Y; Zhao J; Wei C
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct; 96():768-75. PubMed ID: 22885894
[TBL] [Abstract][Full Text] [Related]
16. 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; 121():394-403. PubMed ID: 24280302
[TBL] [Abstract][Full Text] [Related]
17. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
Sebastian S; Sundaraganesan N; Karthikeiyan B; Srinivasan V
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb; 78(2):590-600. PubMed ID: 21195659
[TBL] [Abstract][Full Text] [Related]
18. Crystallographic, experimental (FT-IR and FT-RS) and theoretical (DFT) investigation, UV-Vis, MEP, HOMO-LUMO and NBO/NLMO of (E)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide.
Saravanan RR; Seshadri S; Gunasekaran S; Mendoza-Meroño R; Garcia-Granda S
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():268-75. PubMed ID: 24252291
[TBL] [Abstract][Full Text] [Related]
19. 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; 115():753-66. PubMed ID: 23892116
[TBL] [Abstract][Full Text] [Related]
20. FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X=F, Cl, Br, I).
Singh JS
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 117():502-18. PubMed ID: 24036044
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
