Zúñiga J - Search Results

1

Intraresidual Correlated Motions in Peptide Chains.

Bastida A, Carmona-García J, Zúñiga J, Requena A, Cerezo J. Bastida A, et al. Among authors: zuniga j. J Chem Inf Model. 2019 Nov 25;59(11):4524-4527. doi: 10.1021/acs.jcim.9b00842. Epub 2019 Nov 4. J Chem Inf Model. 2019. PMID: 31670959

2

Determination of a Potential Energy Surface for CO2 Using Generalized Internal Vibrational Coordinates.

Zúñiga J, Alacid M, Bastida A, Carvajal FJ, Requena A. Zúñiga J, et al. J Mol Spectrosc. 1999 May;195(1):137-146. doi: 10.1006/jmsp.1999.7816. J Mol Spectrosc. 1999. PMID: 10191158

3

Variational Calculations of Rovibrational Energies for CO(2).

Zúñiga J, Bastida A, Alacid M, Requena A. Zúñiga J, et al. J Mol Spectrosc. 2001 Jan;205(1):62-72. doi: 10.1006/jmsp.2000.8237. J Mol Spectrosc. 2001. PMID: 11148108

4

Size evolution of the vibrational predissociation process in Br2...Nen clusters: simulation and kinetic study.

Miguel B, Bastida A, Zúñiga J, Requena A, Halberstadt N. Miguel B, et al. Among authors: zuniga j. Faraday Discuss. 2001;(118):257-68; discussion 295-314. doi: 10.1039/b009222n. Faraday Discuss. 2001. PMID: 11605270

5

Surface hopping simulation of the vibrational relaxation of I2 in liquid xenon using the collective probabilities algorithm.

Bastida A, Cruz C, Zúñiga J, Requena A, Miguel B. Bastida A, et al. Among authors: zuniga j. J Chem Phys. 2004 Dec 1;121(21):10611-22. doi: 10.1063/1.1811598. J Chem Phys. 2004. PMID: 15549944

6

On the use of optimal internal vibrational coordinates for symmetrical bent triatomic molecules.

Zúñiga J, Picón JA, Bastida A, Requena A. Zúñiga J, et al. J Chem Phys. 2005 Jun 8;122(22):224319. doi: 10.1063/1.1929738. J Chem Phys. 2005. PMID: 15974680

7

The Ehrenfest method with quantum corrections to simulate the relaxation of molecules in solution: equilibrium and dynamics.

Bastida A, Cruz C, Zúñiga J, Requena A, Miguel B. Bastida A, et al. Among authors: zuniga j. J Chem Phys. 2007 Jan 7;126(1):014503. doi: 10.1063/1.2404676. J Chem Phys. 2007. PMID: 17212496

8

Optimal internal coordinates, vibrational spectrum, and effective Hamiltonian for ozone.

Zúñiga J, Picón JA, Bastida A, Requena A. Zúñiga J, et al. J Chem Phys. 2007 Jun 28;126(24):244305. doi: 10.1063/1.2743441. J Chem Phys. 2007. PMID: 17614547

9

A density functional theory study of the structure and vibrational spectra of beta-carotene, capsanthin, and capsorubin.

Requena A, Cerón-Carrasco JP, Bastida A, Zúñiga J, Miguel B. Requena A, et al. Among authors: zuniga j. J Phys Chem A. 2008 May 29;112(21):4815-25. doi: 10.1021/jp710304u. Epub 2008 May 8. J Phys Chem A. 2008. PMID: 18461911

10

Full quantum vibrational simulation of the relaxation of the cyanide ion in water using the Ehrenfest method with quantum corrections.

Bastida A, Zúñiga J, Requena A, Miguel B. Bastida A, et al. Among authors: zuniga j. J Chem Phys. 2008 Oct 21;129(15):154501. doi: 10.1063/1.2992617. J Chem Phys. 2008. PMID: 19045203

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