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1

Ab Initio Electron Propagator Calculations on the Ionization Energies of Free Base Porphine, Magnesium Porphyrin, and Zinc Porphyrin †

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

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 53 KB

english, 2005

2

Microsolvation effects on the electron binding energies of halide anions

Dolgounitcheva, O., Zakrzewski, V.G., Streit, L., Ortiz, J.V.

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 251 KB

english, 2014

3

Direct algorithm for the random-phase approximation

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

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 525 KB

english, 1996

4

Comparison of electron propagator methods for calculating electron detachment energies of anions

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

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 148 KB

english, 1997

5

Electron propagator theory of conformational effects on anisole and thioanisole photoelectron spectra

O. Dolgounitcheva, V. G. Zakrzewski, J. V. Ortiz, G. V. Ratovski

Journal:

International Journal of Quantum Chemistry

Year:

1998

Language:

english

File:

PDF, 273 KB

english, 1998

6

Improved algorithms for renormalized electron propagator calculations

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

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 161 KB

english, 1999

7

Electron propagator calculations on uracil and adenine ionization energies

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

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 154 KB

english, 2000

8

Efficient electron propagator algorithms for shakeup final states: Anthracene and acridine

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

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 144 KB

english, 2000

9

ChemInform Abstract: One-Electron Pictures of Electronic Structure: Propagator Calculations on Photoelectron Spectra of Aromatic Molecules

J. V. ORTIZ, V. G. ZAKRZEWSKI, O. DOLGOUNITCHEVA

Journal:

Year:

1998

File:

PDF, 26 KB

1998

10

Structures and electron detachment energies of uracil anions

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

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 271 KB

english, 1999

11

Electron binding energies of nucleobases and nucleotides

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

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 95 KB

english, 2002

12

Correlated Ab initio electron propagators in the study of molecular wires

O. Dolgounitcheva, V. G. Zakrzewski, Mark R. Sterling, A. Kletsov, Yu. Dahnovsky, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 128 KB

english, 2006

13

Electron propagator studies of vertical electron detachment energies and isomerism in purinic deoxyribonucleotides

V. V. Zakjevskii, O. Dolgounitcheva, V. G. Zakrzewski, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 152 KB

english, 2007

14

Correlated, ab initio electron propagators in the study of molecular wires: Application to a single molecular bridge placed between two model leads

Mark R. Sterling, O. Dolgounitcheva, V.G. Zakrzewski, Yu. Dahnovsky, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 247 KB

english, 2007

15

Virtual space reduction in quasi-particle electron propagator calculations: Applications to polycyclic aromatic hydrocarbons

O. Dolgounitcheva, R. Flores-Moreno, V. G. Zakrzewski, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 109 KB

english, 2008

16

Three approximations to the nonlocal and energy-dependent correlation potential in electron propagator theory

R. Flores-Moreno, J. Melin, O. Dolgounitcheva, V. G. Zakrzewski, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 313 KB

english, 2010

17

Strong correlation effects in the electron binding energies of phthalocyanine

Viatcheslav G. Zakrzewski, Olga Dolgounitcheva, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 152 KB

english, 2009

18

Delocalization of Dyson orbitals in F−(H2O) and Cl−(H2O)

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

Journal:

International Journal of Quantum Chemistry

Year:

2011

Language:

english

File:

PDF, 135 KB

english, 2011

19

Ab initio electron propagator methods: Applications to nucleic acids fragments and metallophthalocyanines

Viatcheslav G. Zakrzewski, Olga Dolgounitcheva, Alexander V. Zakjevskii, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 519 KB

english, 2010

20

Ab initio electron propagator calculations on electron detachment energies of nickel phthalocyanine tetrasulfonate tetraanions

Olga Dolgounitcheva, V. G. Zakrzewski, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 281 KB

english, 2012

21

Electronic structure of a beryllium half-sandwich complex, Be(η5-C5H5)

Olga Dolgounitcheva, V. G. Zakrzewski, J. V. Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 799 KB

english, 2012

22

Electron detachment energies of aqueous and cluster halide anions from electron propagator calculations with the polarizable continuum model

Olga Dolgounitcheva, Viatcheslav G. Zakrzewski, Joseph Vincent Ortiz

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 265 KB

english, 2012

23

Ionization energies of anthracene, phenanthrene, and naphthacene

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

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 1.06 MB

english, 1996

24

Photoelectron Spectroscopy of the 6-Azauracil Anion

Chen, Jing, Buonaugurio, Angela, Dolgounitcheva, Olga, Zakrzewski, V. G., Bowen, Kit H., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 214 KB

english, 2013

25

Conformational Effects on Glycine Ionization Energies and Dyson Orbitals

Herrera, Bárbara, Dolgounitcheva, O., Zakrzewski, V. G., Toro-Labbé, Alejandro, Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 713 KB

english, 2004

26

Electron Propagator Calculations Show that Alkyl Substituents Alter Porphyrin Ionization Energies

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

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 82 KB

english, 2005

27

Ionization Energies of Acridine, Phenazine, and Diazaphenanthrenes

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

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 720 KB

english, 1997

28

Electron binding energies of TCNQ and TCNE

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

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 549 KB

english, 1996

29

Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions

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

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 254 KB

english, 2011

30

Hydroxide Attack on Acetylene: Theoretical Structures and Energies

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

Journal:

Journal of Physical Chemistry A

Year:

1997

Language:

english

File:

PDF, 163 KB

english, 1997

31

Deprotonated Cytosine Anions: A Theoretical Prediction of Photoelectron Spectra

Vázquez, Marco-Vinicio, Martínez, Ana, Dolgounitcheva, O., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 248 KB

english, 2006

32

Nonconventional Hydrogen Bonds: A Theoretical Study of [uracil-L] − (L = F, Cl, Br, I, Al, Ga, In) Complexes

Martínez, Ana, Dolgounitcheva, O., Zakrzewski, V. G., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 209 KB

english, 2008

33

Diffuse-Bound and Valence-Bound Anions of Cytosine

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

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 439 KB

english, 2001

34

Silicon−Nitrogen Bonding in Silatranes: Assignment of Photoelectron Spectra

Trofimov, A. B., Zakrzewski, V. G., Dolgounitcheva, O., Ortiz, J. V., Sidorkin, V. F., Belogolova, E. F., Belogolov, M., Pestunovich, V. A.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 262 KB

english, 2005

35

Electron Propagator Calculations on the Ground and Excited States of C 60–

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

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 213 KB

english, 2014

36

Ionization Energies and Dyson Orbitals of Cytosine and 1-Methylcytosine

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

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 739 KB

english, 2003

37

Theoretical Study of the Structure and Bonding of a Metal−DNA Base Complex: Al−Guanine

Moussatova, Anastassiia, Vázquez, Marco-Vinicio, Martínez, Ana, Dolgounitcheva, O., Zakrzewski, V. G., Ortiz, J. V., Pedersen, David B., Simard, Benoit

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 379 KB

english, 2003

38

Anionic and Neutral Complexes of Uracil and Water

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

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 121 KB

english, 1999

39

Base and Phosphate Electron Detachment Energies of Deoxyribonucleotide Anions

Zakjevskii, Viatcheslav V., King, Samuel J., Dolgounitcheva, Olga, Zakrzewski, Viatcheslav G., Ortiz, Joseph Vincent

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 54 KB

english, 2006

40

Double-Rydberg Anions: Predictions on NH 3 AH n - and OH 2 AH n - Structures

Hopper, Hugh, Lococo, Michael, Dolgounitcheva, O., Zakrzewski, V. G., Ortiz, J. V.

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 92 KB

english, 2000

41

Ionization Energies and Dyson Orbitals of Thymine and Other Methylated Uracils †

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

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 454 KB

english, 2002

42

Vertical Ionization Energies of Naphthalene

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

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 30 KB

english, 2000

43

Valence-Bound and Diffuse-Bound Anions of 5-Azauracil

Corzo, H. H., Dolgounitcheva, O., Zakrzewski, V. G., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 2.27 MB

english, 2014

44

Solvation of Al−Guanine Complexes with NH 3 : A Theoretical Study

Vázquez, Marco-Vinicio, Moussatova, Anastassiia, Martínez, Ana, Dolgounitcheva, O., Zakrzewski, V. G., Ortiz, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 353 KB

english, 2004

45

Electron Propagator Theory of Guanine and Its Cations: Tautomerism and Photoelectron Spectra

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

Journal:

Journal of the American Chemical Society

Year:

2000

Language:

english

File:

PDF, 113 KB

english, 2000

46

New insights in the photochromic spiro-dihydroindolizine/betaine-system

Shrestha, Tej B., Melin, Junia, Liu, Yao, Dolgounitcheva, Olga, Zakrzewski, Viatcheslav G., Pokhrel, Megh Raj, Gogritchiani, Eliso, Ortiz, Joseph Vincent, Turró, Claudia, Bossmann, Stefan H.

Journal:

Photochemical & Photobiological Sciences

Year:

2008

Language:

english

File:

PDF, 350 KB

english, 2008

47

Excitation energies, photoionization cross sections, and asymmetry parameters of the methyl and silyl radicals

Velasco, A. M., Lavín, C., Dolgounitcheva, O., Ortiz, J. V.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 396 KB

english, 2014

48

Ground state and vertical electron detachment energies of icosahedral and D[sub 5h] Al[sub 13][sup −]

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

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 536 KB

english, 1999

49

Ionization energies of benzo[a]pyrene and benzo[e]pyrene

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

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.58 MB

english, 1997

50

Electron propagator calculations on C[sub 60] and C[sub 70] photoelectron spectra

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

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 335 KB

english, 2008