Auburn University > COSAM > Chemistry and Biochemistry > J.V.Ortiz >

Ortiz Quantum Chemistry Group

Group Members | Publications | Research | Former Members | Recent Meetings

Publications of J. V. Ortiz

[2016]   [2015]   [2014]   [2013]   [2012]   [2011]   [2010]   [2009]   [2008]   [2007]   [2006]   [2005]   [2004]   [2003]   [2002]   [2001]   [2000]   [1999]   [1998]   [1997]   [1996]   [1995]   [1994]   [1993]   [1992]   [1991]   [1990]   [1989]   [1988]   [1987]   [1986]   [1985]   [1984]   [1983]   [1982]   [1981]   [1980]

2016

A. A. Kletsov*, E. G. Glukhovskoy, A. S. Chumakov and J. V. Ortiz, Ab initio electron propagator calculations of transverse conduction through DNA nucleotide bases in 1-nm nanopore corroborate third generation sequencing, Biochim. Biophys. Acta, General Subjects 160, 140-5 (2016). Request reprint. DOI: 10.1016/j.bbagen.2015.10.013

R. M. Richard, M. S. Marshall, O. Dolgounitcheva, J. V. Ortiz, J. L. Brédas, N. Marom and C. D. Sherrill*, Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I: Reference Data at the CCSD(T) Complete Basis Set Limit, J. Chem. Theory Comp. 12, 595-604 (2016). Request reprint. DOI: 10.1021/acs.jctc.5b00875

J. Knight, X. Wang, L. Gallandi, O. Dolgounitcheva, X. Ren, J. V. Ortiz, P. Rinke, T. Körzdörfer and N. Marom*, Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods, J. Chem. Theory Comp. 12, 615-626 (2016). Request reprint. DOI: 10.1021/acs.jctc.5b00871

O. Dolgounitcheva, M. Díaz-Tinoco, V. G. Zakrzewski, R. M. Richard, N. Marom, C. D. Sherrill and J. V. Ortiz*, Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods, J. Chem. Theory Comp. 12, 627-37 (2016). Request reprint. DOI: 10.1021/acs.jctc.5b00872

M. A. Díaz-Tinoco and J. V. Ortiz*, Comment on ``Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study'' by M. M. Li, J.-F. Li, H. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338, Phys. Chem. Chem. Phys. 18, 15456-7 (2016). Request reprint. DOI: 10.1039/C6CP01897A

M. Díaz-Tinoco, O. Dolgounitcheva, V. G. Zakrzewski and J. V. Ortiz*, Composite Electron Propagator Methods for Calculating Ionization Energies, J. Chem. Phys. 144, 224110/1-11 (2016). Request reprint. Copyright 2016 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. DOI: 10.1063/1.4892584

H. H. Corzo and J. V. Ortiz*, Electron Propagator Theory: Foundations and Predictions, Adv. Quantum Chem., in press.

M. Díaz-Tinoco and J. V. Ortiz*, Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1 Anions" by Li et al. , Chem. Phys. Chem., in press. Request reprint. DOI: 10.1002/cphc.201600519

A. Martínez Vázquez, A. Galano and J. V. Ortiz, Elena y Gerónimo, Editorial Terracota, México D.F., México, in press.