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

[2020]   [2019]   [2018]   [2017]   [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]

2021

M. Díaz-Tinoco, F. Pawłowski and J. V. Ortiz,* Dyson Orbitals and Chemical Bonding, chapter for Chemical Reactivity, S. Kaya and G. Serdaroğlu, editors, in press.

F. Pawłowski and J. V. Ortiz,* Ionization energies and Dyson orbitals of the iso-electronic SO2, O3 and S3 molecules from electron propagator calculations, J. Phys. Chem. A 125, 3664-80 (2021). Request reprint. DOI: 10.1021/acs.jpca.1c01759

E. Opoku, F. Pawłowski and J. V. Ortiz,* Electron Binding Energies and Dyson Orbitals of OnH2n+1+,0,- Clusters: Double Rydberg Anions, Rydberg Radicals and Micro-Solvated Hydronium Cations, J. Chem. Phys. 154, 234304 (2021). Request reprint. DOI: 10.1063/5.0053297

E. R. Davidson, J. V. Ortiz and V. N. Staroverov,* Complete-active-space Extended Koopmans Theorem Method, J. Chem. Phys. 155, 051102 (2021). Request reprint. DOI: 10.1063/5.0058080

J. V. Ortiz,* A. N. Alexandrova* and J. Simons,* Tribute to Alexander I. Boldyrev, J. Phys. Chem. A 125, 9261-3 (2021). Request reprint. DOI: 10.1021/acs.jpca.1c08112