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1

Using GNXAS, a multiple-scattering EXAFS analysis, for determination of the FeNO angle in {FeNO}7 complexes

Tami E. Westre, Andrea Di Cicco, Adriano Filipponi, Calogero R. Natoli, Britt Hedman, Edward I. Solomon, Keith O. Hodgson

Journal:

Physica B: Condensed Matter

Year:

1995

Language:

english

File:

PDF, 151 KB

english, 1995

2

Some insight into the convergence of the multiple scattering series expansion

Sébilleau, Didier, Natoli, Calogero R

Journal:

Journal of Physics Conference Series

Year:

2009

Language:

english

File:

PDF, 539 KB

english, 2009

3

MsSpec-1.0: A multiple scattering package for electron spectroscopies in material science

Didier Sébilleau, Calogero Natoli, George M. Gavaza, Haifeng Zhao, Fabiana Da Pieve, Keisuke Hatada

Journal:

Computer Physics Communications

Year:

2011

Language:

english

File:

PDF, 480 KB

english, 2011

4

Theoretical analysis of X-ray absorption near-edge structure in forsterite, Mg2SiO4-Pbnm, and fayalite, Fe2SiO4-Pbnm, at room temperature and extreme conditions

Ziyu Wu, Annibale Mottana, Augusto Marcelli, Calogero Rino Natoli, Eleonora Paris

Journal:

Physics and Chemistry of Minerals

Year:

1996

Language:

english

File:

PDF, 1.10 MB

english, 1996

5

Structural Studies Using X-ray Absorption Spectroscopy of Intermediates Formed by Reaction of Ozone with Halogeno(dodecaphenylporphyrinato)manganese(III) Derivatives

Gotte, Vincent, Goulon, José, Goulon-Ginet, Chantal, Rogalev, Andrei, Natoli, Calogero R., Perié, Karine, Barbe, Jean-Michel, Guilard, Roger

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 199 KB

english, 2000

6

Multiple scattering theory for non-local and multichannel potentials

Natoli, Calogero R, Krüger, Peter, Hatada, Keisuke, Hayakawa, Kuniko, Sébilleau, Didier, Šipr, Ondřej

Journal:

Journal of Physics Condensed Matter

Year:

2012

Language:

english

File:

PDF, 308 KB

english, 2012

7

Full-potential multiple scattering theory with space-filling cells for bound and continuum states

Hatada, Keisuke, Hayakawa, Kuniko, Benfatto, Maurizio, Natoli, Calogero R

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 809 KB

english, 2010

8

Determination of the Fe-N-O Angle in {FeNO}7 Complexes Using Multiple-Scattering EXAFS Analysis by GNXAS

Westre, Tami E., Di Cicco, Andrea, Filipponi, Adriano, Natoli, Calogero R., Hedman, Britt, Solomon, Edward I., Hodgson, Keith O.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.23 MB

english, 1994

9

X-ray-absorption spectroscopy and n -body distribution functions in condensed matter. I. Theory

Filipponi, Adriano, Di Cicco, Andrea, Natoli, Calogero Renzo

Journal:

Physical Review B

Year:

1995

Language:

english

File:

PDF, 723 KB

english, 1995

10

EXAFS studies of FeMo-cofactor and MoFe protein: Direct evidence for the long-range Mo-Fe-Fe interaction and cyanide binding to the Mo in FeMo-cofactor

Liu, Hongbin Isaac, Burgess, Barbara K., Natoli, Calogero R., Filipponi, Adriano, Gavini, Narasaiah, Hedman, Britt, Di Cicco, Andrea, Hodgson, Keith O.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 798 KB

english, 1994

11

GNXAS, A Multiple-Scattering Approach to EXAFS Analysis: Methodology and Applications to Iron Complexes

Westre, Tami E., Di Cicco, Andrea, Filipponi, Adriano, Natoli, Calogero R., Hedman, Britt, Solomon, Edward I., Hodgson, Keith O.

Journal:

Journal of the American Chemical Society

Year:

1995

Language:

english

File:

PDF, 2.30 MB

english, 1995

12

Full Quantitative Multiple-Scattering Analysis of X-ray Absorption Spectra: Application to Potassium Hexacyanoferrat(II) and -(III) Complexes

Hayakawa, Kuniko, Hatada, Keisuke, D'Angelo, Paola, Della Longa, Stefano, Natoli, Calogero R., Benfatto, Maurizio

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 86 KB

english, 2004

13

X-ray natural circular dichroism in a uniaxial gyrotropic single crystal of LiIO[sub 3]

Goulon, José, Goulon-Ginet, Chantal, Rogalev, Andrei, Gotte, Vincent, Malgrange, Cécile, Brouder, Christian, Natoli, Calogero R.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 466 KB

english, 1998

14

X-Ray Natural Circular Dichroism

Alagna, Lucilla, Prosperi, Tommaso, Turchini, Stefano, Goulon, José, Rogalev, Andrei, Goulon-Ginet, Chantal, Natoli, Calogero R., Peacock, Robert D., Stewart, Brian

Journal:

Physical Review Letters

Year:

1998

Language:

english

File:

PDF, 134 KB

english, 1998

15

edge calculated within multichannel multiple scattering theory

Krüger, Peter, Natoli, Calogero R.

Journal:

Physical Review B

Year:

2004

Language:

english

File:

PDF, 132 KB

english, 2004

16

Full-potential multiple scattering for x-ray spectroscopies

Hatada, Keisuke, Hayakawa, Kuniko, Benfatto, Maurizio, Natoli, Calogero R.

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 144 KB

english, 2007

17

and

Benfatto, Maurizio, Joly, Yves, Natoli, Calogero R.

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 89 KB

english, 1999

18

Erratum: Full-potential multiple scattering for x-ray spectroscopies [Phys. Rev. B 76 , 060102(R) (2007)]

Hatada, Keisuke, Hayakawa, Kuniko, Benfatto, Maurizio, Natoli, Calogero R.

Journal:

Physical Review B

Year:

2008

File:

PDF, 24 KB

2008

19

Electron Population Analysis by Full-Potential X-Ray Absorption Simulations

Joly, Yves, Cabaret, Delphine, Renevier, Hubert, Natoli, Calogero R.

Journal:

Physical Review Letters

Year:

1999

Language:

english

File:

PDF, 184 KB

english, 1999

20

Full-potential multiple scattering for core electron spectroscopies

Hatada, Keisuke, Hayakawa, Kuniko, Benfatto, Maurizio, Natoli, Calogero R

Journal:

Journal of Physics Condensed Matter

Year:

2009

Language:

english

File:

PDF, 528 KB

english, 2009

21

ES2MS: An interface package for passing self-consistent charge density and potential from Electronic Structure codes To Multiple Scattering codes

Xu, Junqing, Natoli, Calogero R., Krüger, Peter, Hayakawa, Kuniko, Sébilleau, Didier, Song, Li, Hatada, Keisuke

Journal:

Computer Physics Communications

Year:

2016

Language:

english

File:

PDF, 1.17 MB

english, 2016

22

Full potential multiple scattering calculations of transition metals K-edges

Hatada, Keisuke, Hayakawa, Kuniko, Chaboy, Jesús, Natoli, Calogero R

Journal:

Journal of Physics Conference Series

Year:

2009

Language:

english

File:

PDF, 429 KB

english, 2009

23

-edge in Fe phthalocyanine film on Au: Insight into the magnetic ground state

Bartolomé, Juan, Bartolomé, Fernando, Figueroa, Adriana I., Bunău, Oana, Schuller, Ivan K., Gredig, Thomas, Wilhelm, Fabrice, Rogalev, Andrei, Krüger, Peter, Natoli, Calogero R.

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 279 KB

english, 2015

24

X-ray absorption spectra of graphene and graphene oxide by full-potential multiple scattering calculations with self-consistent charge density

Xu, Junqing, Krüger, Peter, Natoli, Calogero R., Hayakawa, Kuniko, Wu, Ziyu, Hatada, Keisuke

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 2.59 MB

english, 2015

25

SelfConsistent NonLocal Optical Potential for XANES

Hatada, Keisuke, Benfatto, Maurizio, Natoli, Calogero R.

Journal:

Physica Scripta

Year:

2005

Language:

english

File:

PDF, 159 KB

english, 2005

26

[AIP X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference - Stanford, California (USA) (9-14 July 2006)] AIP Conference Proceedings - Study of the Electronic Structure in Oxides Using Absorption and Resonant X-Ray Scattering

Joly, Yves, Nazarenko, Elena, Lorenzo, Emilio, Di Matteo, Sergio, Natoli, Calogero Renzo

Year:

2007

Language:

english

File:

PDF, 2.73 MB

english, 2007

27

[AIP X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference - Stanford, California (USA) (9-14 July 2006)] AIP Conference Proceedings - Multiple Scattering Approach to Continuum State with Generally Shaped Potential

Hatada, Keisuke, Hayakawa, Kuniko, Tenore, Antonio, Benfatto, Maurizio, Natoli, Calogero

Year:

2007

Language:

english

File:

PDF, 1.44 MB

english, 2007

28

Theory of x-ray absorption and linear dichroism at the Ca L 23 -edge of CaCO 3

Krüger, Peter, Natoli, Calogero R.

Journal:

Journal of Physics Conference Series

Year:

2016

Language:

english

File:

PDF, 1.12 MB

english, 2016

29

Simple model of the ground state and spin-orbital excitations of free and adsorbed Fe(II) phthalocyanine molecules

Natoli, Calogero R., Krüger, Peter, Yoshimoto, Yuki, Bartolomé, Juan, Bartolomé, Fernando

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 376 KB

english, 2018

30

Ab Initio Multiple-Scattering Calculations of the Rhenium L 3 and L 1 Edges XAFS in ReO 3

Kuzmin, Alexei, Purans, Juris, Benfatto, Maurizio, Natoli, Calogero Renzo

Journal:

Japanese Journal of Applied Physics

Year:

1993

File:

PDF, 519 KB

1993