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	1.	Polarised Raman and infrared spectral analysis of L-alanine oxalate (C5H9NO6)--a non-linear optical single crystal. [electronic resource] by Krishnakumar, V Nagalakshmi, R Producer: 20070104 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 64 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Scaled quantum chemical calculations and FT-IR, FT-Raman spectral analysis of 2-methyl piperazine. [electronic resource] by Krishnakumar, V Seshadri, S Producer: 20080226 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 68 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Simulation of IR and Raman spectral based on scaled DFT force fields: a case study of 2-amino 4-hydroxy 6-trifluoromethylpyrimidine, with emphasis on band assignment. [electronic resource] by Krishnakumar, V Prabavathi, N Producer: 20090109 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 71 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Structures and vibrational frequencies of 2-hydroxy-3-methoxy-5-nitrobenzaldehyde and 2-methoxy-1-naphthaldehyde based on density functional theory calculations. [electronic resource] by Krishnakumar, V Balachandran, V Producer: 20060403 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 63 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Crystal growth and vibrational spectroscopic studies of the semiorganic non-linear optical crystal--bisthiourea zinc chloride. [electronic resource] by Krishnakumar, V Nagalakshmi, R Producer: 20050512 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Simulation of IR and Raman spectra of p-hydroxyanisole and p-nitroanisole based on scaled DFT force fields and their vibrational assignments. [electronic resource] by Krishnakumar, V Prabavathi, N Producer: 20091130 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 74 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Scaled quantum chemical calculations and FTIR, FT-Raman spectral analysis of 2-Methylpyrazine. [electronic resource] by Krishnakumar, V Prabavathi, N Producer: 20090406 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 72 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	DFT studies, vibrational spectra and conformational stability of 4-hydroxy-3-methylacetophenone and 4-hydroxy-3-methoxyacetophenone. [electronic resource] by Krishnakumar, V Balachandran, V Producer: 20051017 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Vibrational spectra and structure of 5,6-diamino uracil and 5,6-dihydro-5-methyl uracil by density functional theory calculations. [electronic resource] by Krishnakumar, V Ramasamy, R Producer: 20070307 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 66 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Density functional and experimental studies on the FT-IR and FT-Raman spectra and structure of 2,6-diamino purine and 6-methoxy purine. [electronic resource] by Krishnakumar, V Ramasamy, R Producer: 20080408 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 69 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Density functional study and the vibrational spectra of 4-chloro-5-fluoro-1,2-phenylenediamine. [electronic resource] by Krishnakumar, V Muthunatesan, S Producer: 20050518 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Analysis of vibrational spectra of 5-fluoro, 5-chloro and 5-bromo-cytosines based on density functional theory calculations. [electronic resource] by Krishnakumar, V Balachandran, V Producer: 20050329 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Structure and vibrational frequencies of 6,7-dimethoxy-1,4-dihydro-1,3-quinoxalinedione based on density functional theory calculations: The role of pi-electron conjugation and back-donation. [electronic resource] by Krishnakumar, V Prabavathi, N Producer: 20101103 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 77 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	FTIR and FT-Raman spectra, vibrational assignments and density functional theory calculations of 2,6-dibromo-4-nitroaniline and 2-(methylthio)aniline. [electronic resource] by Krishnakumar, V Balachandran, V Producer: 20050922 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Scaled quantum chemical studies of the structure and vibrational spectra of 2-(methylthio) benzimidazole. [electronic resource] by Krishnakumar, V Ramasamy, R Producer: 20060510 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 62 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	FT-IR, FT-Raman spectra and scaled quantum mechanical study of 2,3-dihydroxy pyridine and 2,4-dihyroxy-3-nitropyridine. [electronic resource] by Krishnakumar, V Muthunatesan, S Producer: 20070227 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 65 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Analysis of vibrational spectra of 1-chloro-2,4-dinitrobenzene based on density functional theory calculations. [electronic resource] by Krishnakumar, V Prabavathi, N Producer: 20090406 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 72 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Density functional theory studies on tautomeric stability and infrared and Raman spectra of some purine derivatives. [electronic resource] by Krishnakumar, V Dheivamalar, S Producer: 20080226 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 68 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Vibrational spectra and potential energy distributions for 4,5-dichloro-3-hydroxypyridazine by density functional theory and normal coordinate calculations. [electronic resource] by Krishnakumar, V Ramasamy, R Producer: 20051017 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Density functional theory study on the structure and vibrational spectra for cyanuric chloride. [electronic resource] by Krishnakumar, V Ramasamy, R Producer: 20060104 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 61 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 99 results.