
About me
Full professor. Ph.D., Applied Chemistry (Materials).
Projects
- Quantifying milk powder adulterants using near- and mid-infrared spectroscopy coupled with chemometric routines. (2018 – Present)
- Choosing optimal model to predict 1H and 13C NMR chemical shifts for peroxy-based compounds (2018 – Present)
- Detecting opioid simulant inside mail flats using portable and handheld Raman spectroscopy coupled with chemometric routines (2019 – Present)
- Simulating explosive parameters for explosive/aluminum mixtures while varying aluminum percentage (2019 – Present)
Journal Articles
- Predicting Heats of Explosion of Nitroaromatic Compounds through NBO Charges and N NMR Chemical Shifts of Nitro Groups, Advances in Physical Chemistry Volume 2012 (2012), 11 pages. Ricardo Infante-Castillo and Samuel P. Hernández-Rivera.
- Predicting heats of explosion of nitrate esters through their NBO charges and 15N NMR chemical shifts on the nitro groups. Computational and Theoretical Chemistry, Volume 963, Issues 2-3, February 2011, Pages 279-283, Samuel P. Hernández-Rivera, Ricardo Infante-Castillo.
- A systematic theoretical investigation of the relationship between heats of detonation and NBO charges and 15N NMR chemical shifts of nitro groups in nitramines and nitro paraffins. Journal of Molecular Structure: THEOCHEM, Volume 960, Issues 1-3, 30 November 2010, Pages 57-62, Samuel P. Hernández-Rivera, Ricardo Infante-Castillo.
- Vibrational spectra and structure of RDX and its 13C- and 15N-labeled derivatives: A theoretical and experimental study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 76, Issue 2, July 2010, Pages 137-141. Ricardo Infante-Castillo, Leonardo Pacheco-Londoño, Samuel P. Hernández-Rivera.
- Monitoring the α → β solid–solid phase transition of RDX with Raman spectroscopy: A theoretical and experimental study. Journal of Molecular Structure, Volume 970, Issues 1-3, 30 April 2010, Pages 51-58. Ricardo Infante-Castillo, Leonardo C. PachecoLondoño, Samuel P. Hernández-Rivera.
- Experimental and theoretical studies of the molecular structure of 1-(2-pyridinylmethyl)2methylbenzimidazole. Journal of Molecular Structure, Volume 968, Issues 1-3, 8 April 2010, Pages 6-12. Ricardo Infante-Castillo, Samuel P. Hernández-Rivera.
- On the choice of optimal protocol for calculation of 13C and 15N NMR isotropic chemical shifts in nitramine systems Journal of Molecular Structure: THEOCHEM, Volume 940, Issues 1-3, 30 January 2010, Pages 124-128. Ricardo Infante-Castillo, Samuel P. Hernández-Rivera.
- DFT studies of the structure and vibrational and NMR spectra of 1-(2- methylpropenyl)2methylbenzimidazole, Journal of Molecular Structure, Volume 917, Issues 2-3, 15 January 2009, Pages 158-163; Ricardo Infante-Castillo, Samuel P. Hernández-Rivera
- Theoretical DFT, vibrational and structural characterization of 1-propenyl-2-methylbenzimidazole and its isomers , Journal of Molecular Structure, Volume 892, Issues 1-3, 15 December 2008, Pages 477-484. Ricardo Infante-Castillo, Samuel P. Hernández-Rivera.
- Theoretical DFT, vibrational and NMR studies of benzimidazole and alkyl derivatives, Journal of Molecular Structure, Volume 877, Issues 1-3, 17 April 2008, Pages 10-19. Ricardo Infante-Castillo, Samuel P. Hernández-Rivera. Top 25 article first semester
- Effects of isotopic substitution on the vibrational spectra of α-RDX .R. Infante-castillo and S. P. Hernandez, Proc. of SPIE, 6538 (2007) 653825.
- Theoretical and experimental vibrational and NMR studies of RDX. R. Infante-Castillo and S. P. Hernandez, Proc. of SPIE, 6201 (2006) 62012F.
Chapters in Books
- Espinosa-Fuentes, E.A., Peña-Quevedo, A.J., Pacheco-Londoño, L.C., Infante-Castillo, R. and Hernández-Rivera, S.P., A Review of Peroxide Based Homemade Explosives: Characterization and Detection, in “Explosive Materials: Classification, Composition and Properties”, Janssen,T.J., ed., Chemical Engineering Methods and Technology Series, Nova Science Publishers, Inc. Hauppauge, NY, fourth quarter 2010, ISBN: 978-161761188-9.
- Infante-Castillo, R and Hernandez-Rivera, S. P. Experimental and Theoretical Studies of the Molecular Structure of Five New 2-methylbenzimidazole Derivatives, in “Advances in Chemistry Research, Volume 11, Nova Science Publishers, Inc. Hauppauge, NY, fourth quarter 2011, ISBN: 978-1-61324-815-7.