Density functional study of x-ray Raman scattering from aromatic hydrocarbons and polyfluorene

A. Sakko; M. Hakala; J. A. Soininen; K. Hämäläinen

doi:10.1103/physrevb.76.205115

Density functional study of x-ray Raman scattering from aromatic hydrocarbons and polyfluorene

Physical Review B ◽

10.1103/physrevb.76.205115 ◽

2007 ◽

Vol 76 (20) ◽

Cited By ~ 15

Author(s):

A. Sakko ◽

M. Hakala ◽

J. A. Soininen ◽

K. Hämäläinen

Keyword(s):

Raman Scattering ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

X Ray

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High Covalence in CuSO4 and the Radicalization of Sulfate: An X-Ray Absorption and Density Functional Study.

ChemInform ◽

10.1002/chin.200509002 ◽

2005 ◽

Vol 36 (9) ◽

Author(s):

Robert K. Szilagyi ◽

Patrick Frank ◽

Serena DeBeer George ◽

Britt Hedman ◽

Keith O. Hodgson

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

X Ray ◽

X Ray Absorption

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Ozone Interaction with Polycyclic Aromatic Hydrocarbons and Soot in Atmospheric Processes: Theoretical Density Functional Study by Molecular and Periodic Methodologies

The Journal of Physical Chemistry A ◽

10.1021/jp053672q ◽

2005 ◽

Vol 109 (48) ◽

pp. 10929-10939 ◽

Cited By ~ 24

Author(s):

Andrea Maranzana ◽

Giovanni Serra ◽

Anna Giordana ◽

Glauco Tonachini ◽

Gianluca Barco ◽

...

Keyword(s):

Polycyclic Aromatic Hydrocarbons ◽

Aromatic Hydrocarbons ◽

Density Functional ◽

Theoretical Density ◽

Functional Study ◽

Density Functional Study ◽

Atmospheric Processes ◽

Polycyclic Aromatic

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Organometallic Chemistry of Ph3PCCO. Synthesis, Characterization, X-ray Structure Determination, and Density Functional Study of the First Stable Bis-η1-ketenyl Complex,trans-[PtCl2{η1-C(PPh3)CO}2]

Organometallics ◽

10.1021/om990826d ◽

2000 ◽

Vol 19 (7) ◽

pp. 1373-1383 ◽

Cited By ~ 18

Author(s):

Roberta Bertani ◽

Maurizio Casarin ◽

Paolo Ganis ◽

Chiara Maccato ◽

Luciano Pandolfo ◽

...

Keyword(s):

Organometallic Chemistry ◽

Structure Determination ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

X Ray

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Copper(II)–π interaction in cis-[Cu(orotato)(NH3)2] and the crystal structure of [Cu(orotato)(H2O)4]·H2O: X-ray, vibrational spectroscopy and density functional study

Polyhedron ◽

10.1016/j.poly.2007.05.052 ◽

2007 ◽

Vol 26 (15) ◽

pp. 4303-4313 ◽

Cited By ~ 26

Author(s):

Danuta Michalska ◽

Katarzyna Hernik ◽

Rafał Wysokiński ◽

Barbara Morzyk-Ociepa ◽

Adam Pietraszko

Keyword(s):

Crystal Structure ◽

Vibrational Spectroscopy ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

X Ray ◽

In Cis

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Kinetics of the sulfur oxidation on palladium: A combined in situ x-ray photoelectron spectroscopy and density-functional study

The Journal of Chemical Physics ◽

10.1063/1.3687676 ◽

2012 ◽

Vol 136 (9) ◽

pp. 094702 ◽

Cited By ~ 14

Author(s):

Karin Gotterbarm ◽

Nicola Luckas ◽

Oliver Höfert ◽

Michael P. A. Lorenz ◽

Regine Streber ◽

...

Keyword(s):

Photoelectron Spectroscopy ◽

Density Functional ◽

Sulfur Oxidation ◽

Functional Study ◽

Density Functional Study ◽

X Ray ◽

Kinetics Of

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Density Functional Study for the Bridged Dinuclear Center Based on a High-Resolution X-ray Crystal Structure of ba3 Cytochrome c Oxidase from Thermus thermophilus

Inorganic Chemistry ◽

10.1021/ic401858s ◽

2013 ◽

Vol 52 (24) ◽

pp. 14072-14088 ◽

Cited By ~ 19

Author(s):

Wen-Ge Han Du ◽

Louis Noodleman

Keyword(s):

Crystal Structure ◽

High Resolution ◽

Cytochrome C ◽

Cytochrome C Oxidase ◽

Density Functional ◽

Thermus Thermophilus ◽

Functional Study ◽

Density Functional Study ◽

X Ray

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Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study

Journal of the American Chemical Society ◽

10.1021/ja994342k ◽

2000 ◽

Vol 122 (21) ◽

pp. 5189-5200 ◽

Cited By ~ 27

Author(s):

Larissa Alexandrova ◽

Oleg G. D'yachenko ◽

Grigory M. Kazankov ◽

Vladimir A. Polyakov ◽

Pavel V. Samuleev ◽

...

Keyword(s):

Dimethyl Sulfoxide ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

X Ray ◽

Biologically Relevant

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X-ray emission spectroscopy and density functional study of CO/Fe(100)

The Journal of Chemical Physics ◽

10.1063/1.3675834 ◽

2012 ◽

Vol 136 (3) ◽

pp. 034702 ◽

Cited By ~ 20

Author(s):

J. Gladh ◽

H. Öberg ◽

Jibiao Li ◽

M. P. Ljungberg ◽

A. Matsuda ◽

...

Keyword(s):

Emission Spectroscopy ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

X Ray

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High Covalence in CuSO4and the Radicalization of Sulfate: An X-ray Absorption and Density Functional Study

Inorganic Chemistry ◽

10.1021/ic030311l ◽

2004 ◽

Vol 43 (26) ◽

pp. 8318-8329 ◽

Cited By ~ 8

Author(s):

Robert K. Szilagyi ◽

Patrick Frank ◽

Serena DeBeer George ◽

Britt Hedman ◽

Keith O. Hodgson

Keyword(s):

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

X Ray ◽

X Ray Absorption

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What does the Sr-substituted 2.1 Å resolution crystal structure of photosystem II reveal about the water oxidation mechanism?

Chemical Communications ◽

10.1039/c3cc49324e ◽

2014 ◽

Vol 50 (24) ◽

pp. 3187-3190 ◽

Cited By ~ 19

Author(s):

Richard Terrett ◽

Simon Petrie ◽

Ron J. Pace ◽

Robert Stranger

Keyword(s):

Crystal Structure ◽

Photosystem Ii ◽

Water Oxidation ◽

Density Functional ◽

Oxidation Mechanism ◽

Functional Study ◽

Density Functional Study ◽

X Ray

The structure of the water oxidising complex in the Sr-substituted X-ray crystal structure of photosystem II and its differences relative to the Ca-containing system, have been rationalized by a density functional study.

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