Electron Propagator Calculations Show that Alkyl Substituents Alter Porphyrin Ionization Energies

O. Dolgounitcheva; V. G. Zakrzewski; J. V. Ortiz

doi:10.1021/ja0507721

Electron Propagator Calculations Show that Alkyl Substituents Alter Porphyrin Ionization Energies

Journal of the American Chemical Society ◽

10.1021/ja0507721 ◽

2005 ◽

Vol 127 (23) ◽

pp. 8240-8241 ◽

Cited By ~ 30

Author(s):

O. Dolgounitcheva ◽

V. G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator

Molecular ionization energies and ground- and ionic-state properties using a non-Dyson electron propagator approach

The Journal of Chemical Physics ◽

10.1063/1.2047550 ◽

2005 ◽

Vol 123 (14) ◽

pp. 144115 ◽

Cited By ~ 69

Author(s):

A. B. Trofimov ◽

J. Schirmer

Keyword(s):

Ionization Energies ◽

Ionic State ◽

Electron Propagator ◽

Molecular Ionization

Ionization Energies and Dyson Orbitals of the Iso-electronic SO2, O3, and S3 Molecules from Electron Propagator Calculations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c01759 ◽

2021 ◽

Author(s):

Filip Pawłowski ◽

Joseph Vincent Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator

Semidirect electron propagator calculations on chlorobenzene ionization energies

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04719-7 ◽

1996 ◽

Vol 388 (1-3) ◽

pp. 351-357 ◽

Cited By ~ 1

Author(s):

V Zakrzewski

Keyword(s):

Ionization Energies ◽

Electron Propagator

Electron Propagator Calculations on the Ionization Energies of Nucleic Acid Bases, Base-Water Complexes and Base Dimers

Fundamental World of Quantum Chemistry ◽

10.1007/978-94-010-0113-7_46 ◽

2003 ◽

pp. 1199-1229

Author(s):

O. Dolgounitcheva ◽

V. G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Nucleic Acid ◽

Nucleic Acid Bases ◽

Ionization Energies ◽

Electron Propagator

Electron Propagator Theory of Ionization Energies and Dyson Orbitals for μ-Hydrido, Bridge-Bonded Molecules: Diborane, Digallane, and Gallaborane

ACS Symposium Series - Structures and Mechanisms ◽

10.1021/bk-2002-0827.ch007 ◽

2002 ◽

pp. 118-134 ◽

Cited By ~ 1

Author(s):

Gustavo Seabra ◽

V.G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator ◽

Propagator Theory

Composite electron propagator methods for calculating ionization energies

The Journal of Chemical Physics ◽

10.1063/1.4953666 ◽

2016 ◽

Vol 144 (22) ◽

pp. 224110 ◽

Cited By ~ 11

Author(s):

Manuel Díaz-Tinoco ◽

O. Dolgounitcheva ◽

V. G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator

Electron propagator calculations on uracil and adenine ionization energies

International Journal of Quantum Chemistry ◽

10.1002/1097-461x(2000)80:4/5<831::aid-qua31>3.0.co;2-w ◽

2000 ◽

Vol 80 (4-5) ◽

pp. 831-835 ◽

Cited By ~ 25

Author(s):

O. Dolgounitcheva ◽

V. G. Zakrzewski ◽

J. V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator

Single-reference electron propagator calculations on vertical ionization energies of ozone

Chemical Physics Letters ◽

10.1016/s0009-2614(98)01125-7 ◽

1998 ◽

Vol 297 (3-4) ◽

pp. 193-199 ◽

Cited By ~ 13

Author(s):

J.V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator ◽

Vertical Ionization Energies

Electron propagator calculations on the ionization energies of CrH−, MnH− and FeH−

Chemical Physics Letters ◽

10.1016/0009-2614(90)85226-3 ◽

1990 ◽

Vol 171 (3) ◽

pp. 197-200 ◽

Cited By ~ 35

Author(s):

Jyh-Shing Lin ◽

J.V. Ortiz

Keyword(s):

Ionization Energies ◽

Electron Propagator

Coupled-cluster reference electron propagator calculations on the ionization energies of O2

Chemical Physics Letters ◽

10.1016/0009-2614(92)85005-u ◽

1992 ◽

Vol 199 (6) ◽

pp. 530-534 ◽

Cited By ~ 15

Author(s):

J.V. Ortiz

Keyword(s):

Coupled Cluster ◽

Ionization Energies ◽

Electron Propagator