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	1.	Molecular structure differences between the antiviral Nucleoside Analogue 5-iodo-2'-deoxyuridine and the natural nucleoside 2'-deoxythymidine using MP2 and DFT methods: conformational analysis, crystal simulations, DNA pairs and possible behaviour. [electronic resource] by Alcolea Palafox, M Producer: 20141124 In: Journal of biomolecular structure & dynamics vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Tautomerism of the natural thymidine nucleoside and the antiviral analogue D4T. Structure and influence of an aqueous environment using MP2 and DFT methods. [electronic resource] by Alcolea Palafox, M Iza, N Producer: 20100409 In: Physical chemistry chemical physics : PCCP vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Hydration analysis of antiviral agent AZT by means of DFT and MP2 calculations. [electronic resource] by Alcolea Palafox, M Talaya, Jéssica Producer: 20110303 In: The journal of physical chemistry. B vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	FT-IR and FT-Raman spectra of 5-chlorocytosine: Solid state simulation and tautomerism. Effect of the chlorine substitution in the Watson-Crick base pair 5-chlorodeoxycytidine-deoxyguanosine. [electronic resource] by Alcolea Palafox, M Rastogi, V K Singh, S P Producer: 20180813 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 188 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Effect of the sulphur atom on geometry and spectra of the biomolecule 2-thiouracil and in the WC base pair 2-thiouridine-adenosine. Influence of water in the first hydration shell. [electronic resource] by Alcolea Palafox, M Rastogi, V K Singh, S P Producer: 20190121 In: Journal of biomolecular structure & dynamics vol. 36 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Solid state simulation of tetramer form of 5-aminoorotic acid: the vibrational spectra and molecular structure study by using MP2 and DFT calculations. [electronic resource] by Ortiz, S Alcolea Palafox, M Rastogi, V K Tomer, Rashmi Producer: 20130219 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 97 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	The biomolecule of 5-bromocytosine: FT-IR and FT-Raman spectra and DFT calculations. Identification of the tautomers in the isolated state and simulation the spectra in the solid state. [electronic resource] by Alcolea Palafox, M Rastogi, V K Kumar, Satendra Joe, Hubert Producer: 20131224 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 111 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	2-Amino-3,5-dichlorobenzonitrile: DFT calculations in the monomer and dimer forms, FT-IR and FT-Raman spectra, molecular geometry, atomic charges and thermodynamical parameters. [electronic resource] by Rastogi, V K Alcolea Palafox, M Tomar, Rashmi Singh, Upama Producer: 20131223 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Biomolecules of 2-Thiouracil, 4-Thiouracil and 2,4-Dithiouracil: A DFT Study of the Hydration, Molecular Docking and Effect in DNA:RNAMicrohelixes. [electronic resource] by Alcolea Palafox, M Franklin Benial, A Milton K Rastogi, V Producer: 20191209 In: International journal of molecular sciences vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Ab initio calculations, FTIR and raman spectra of 2,3-difluorobenzonitrile. [electronic resource] by Alcolea Palafox, M Rastogi, V K Singh, C Tanwar, R P Producer: 20020624 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 57 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra. [electronic resource] by Rastogi, V K Alcolea Palafox, M Tanwar, R P Mittal, Lalit Producer: 20030205 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 58 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	FT-IR, FT-Raman spectra and other molecular properties of 2,4- dichlorobenzonitrile: a interpretation by a DFT study. [electronic resource] by Kattan, D Alcolea Palafox, M Kumar, S Manimaran, D Joe, Hubert Rastogi, V K Producer: 20141021 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Conformational analysis of the anti-HIV Nikavir prodrug: comparisons with AZT and Thymidine, and establishment of structure-activity relationships/tendencies in other 6'-derivatives. [electronic resource] by El-Sayed, Ahmed A Tamara Molina, A Álvarez-Ros, M C Alcolea Palafox, M Producer: 20160111 In: Journal of biomolecular structure & dynamics vol. 33 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Simulation of a tetramer form of 5-chlorouracil: the vibrational spectra and molecular structure in the isolated and in the solid state by using DFT calculations. [electronic resource] by Ortiz, S Alcolea Palafox, M Rastogi, V K Akitsu, T Hubert Joe, I Kumar, Satendra Producer: 20131223 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 110 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	FT-IR and FT-Raman spectra, MEP and HOMO-LUMO of 2,5-dichlorobenzonitrile: DFT study. [electronic resource] by Alcolea Palafox, M Bhat, Daisy Goyal, Yasha Ahmad, Shabbir Hubert Joe, I Rastogi, V K Producer: 20150807 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 136 Pt B Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	FT-IR and FT-Raman spectra of 5-fluoroorotic acid with solid state simulation by DFT methods. [electronic resource] by Cuellar, A Alcolea Palafox, M Rastogi, V K Kiefer, W Schlücker, S Rathor, S K Producer: 20150330 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 132 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: a DFT study. [electronic resource] by Alcolea Palafox, M Bena Jothy, V Singhal, Surabhi Hubert Joe, I Kumar, Satendra Rastogi, V K Producer: 20140416 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 116 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Relationships observed in the structure and spectra of uracil and its 5-substituted derivatives. [electronic resource] by Alcolea Palafox, M Tardajos, G Guerrero-Martínez, A Vats, J K Joe, Hubert Rastogi, V K Producer: 20100615 In: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy vol. 75 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO-3O. [electronic resource] by Alcolea Palafox, M Posada-Moreno, P Villarino-Marín, A L Martinez-Rincon, C Ortuño-Soriano, I Zaragoza-García, I Producer: 20110519 In: Journal of computer-aided molecular design vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)