R
Rubicelia Vargas
Researcher at Universidad Autónoma Metropolitana
Publications - 115
Citations - 2930
Rubicelia Vargas is an academic researcher from Universidad Autónoma Metropolitana. The author has contributed to research in topics: Density functional theory & Hydrogen bond. The author has an hindex of 26, co-authored 112 publications receiving 2611 citations. Previous affiliations of Rubicelia Vargas include National Autonomous University of Mexico & Pacific Northwest National Laboratory.
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How Strong Is the Cα−H···OC Hydrogen Bond?
TL;DR: In this article, a linear correlation between C−H···O bond energies and gas-phase anion proton affinities was reported and used to estimate values of De = −4.0 ± 0.5
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Conformational Study of the Alanine Dipeptide at the MP2 and DFT Levels
TL;DR: In this paper, a Ramachandran plot with the angle φ in the range −180° to 90° was generated by using density functional theory with the generalized-gradient BLYP functional and a polarized triple-ζ basis set.
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Strength of the NH···OC and CH···OC Bonds in Formamide and N-Methylacetamide Dimers
Rubicelia Vargas,Jorge Garza,Richard A. Friesner,Harry A. Stern,Benjamin P. Hay,David A. Dixon +5 more
TL;DR: In this paper, the structure of formamide and N-methylacetamide has been calculated at the ab initio electronic structure theory level, 2nd order Miller-Plesset perturbation theory (MP2) with augmented correlation consistent basis sets.
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Antidiarrhoeal activity of Waltheria americana, Commelina coelestis and Alternanthera repens
TL;DR: The antidiarrhoeal activity of the hexane, chloroform, methanol and aqueous extracts of Waltheria americana, Commelina coelestis and Alternathera repens, was tested on mice with diarrhoea induced by castor oil and MgSO4.
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Carotenoids can act as antioxidants by oxidizing the superoxide radical anion
TL;DR: The density functional theory results from the present work support the agreement with available experimental data and Asthaxanthin (ASTA) is predicted to be a better O(2) (-) quencher than LYC and the other CAR.