Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity

Magnetisation densities and polarised neutron diffraction: optimised flipping ratio measurements

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_16 ◽

2005 ◽

pp. 235-243

Author(s):

E. Lelièvre-Berna ◽

M. Portes De Albuquerque ◽

F. Tasset ◽

P. J. Brown

Keyword(s):

Neutron Diffraction

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‘Compton microscope effect’?: image of intra-unit-cell atom theoretically observed in compton B(r)-function

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_10 ◽

2005 ◽

pp. 169-178

Author(s):

Teui Kobayasi

Keyword(s):

Unit Cell

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Maximum entropy reconstruction of spin densities involving non-uniform prior

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_3 ◽

2005 ◽

pp. 37-44

Author(s):

J. Schweizer ◽

R. J. Papoular ◽

E. Ressouche ◽

F. Tasset ◽

A. I. Zheludev

Keyword(s):

Maximum Entropy ◽

Maximum Entropy Reconstruction ◽

Spin Densities

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Interaction energy and density in the water dimer. A quantum theory of atoms in molecules: insight on the effect of basis set superposition error removal

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_6 ◽

2005 ◽

pp. 93-114

Author(s):

Carlo Gatti ◽

Antonino Famulari

Keyword(s):

Quantum Theory ◽

Interaction Energy ◽

Atoms In Molecules ◽

Water Dimer ◽

Basis Set ◽

Basis Set Superposition Error ◽

Error Removal

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Three-dimensional reconstruction of electron momentum densities and occupation number densities of Cu and CuAl alloys

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_23 ◽

2005 ◽

pp. 303-312

Author(s):

G. Döring ◽

K. Höppner ◽

A. Kaprolat ◽

W. Schülke

Keyword(s):

Occupation Number ◽

Three Dimensional ◽

Three Dimensional Reconstruction ◽

Electron Momentum ◽

Dimensional Reconstruction

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Reliability of charge density distributions derived by the maximum entropy method

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_2 ◽

2005 ◽

pp. 27-36

Author(s):

Bo Brummerstedt Iversen

Keyword(s):

Charge Density ◽

Maximum Entropy ◽

Maximum Entropy Method ◽

Entropy Method ◽

Density Distributions

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Accurate structure factor determination using 100 keV synchrotron radiation

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_13 ◽

2005 ◽

pp. 209-212

Author(s):

T. Lippmann ◽

D. Waasmeier ◽

A. Kirfel ◽

J. R. Schneider

Keyword(s):

Synchrotron Radiation ◽

Structure Factor

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Transferability, adjustability, and additivity of fuzzy electron density fragments

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_4 ◽

2005 ◽

pp. 45-69 ◽

Cited By ~ 2

Author(s):

Paul G. Mezey

Keyword(s):

Electron Density

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Topological analysis of X-ray protein relative density maps utilizing the eigenvector following method

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_7 ◽

2005 ◽

pp. 115-125

Author(s):

Kenneth E. Edgecombe ◽

Alan Ableson ◽

Kim Baxter ◽

Antony Chiverton ◽

Janice Glasgow ◽

...

Keyword(s):

Relative Density ◽

Topological Analysis ◽

X Ray ◽

Density Maps

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Electrostatic potential of a new angiotensin II receptor antagonist from X-ray diffraction and ab initio calculations

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity ◽

10.1007/0-306-46943-x_20 ◽

2005 ◽

pp. 275-283

Author(s):

Raffaella Soave ◽

Riccardo Destro ◽

Laura Belvisi ◽

Carlo Scolastico

Keyword(s):

Angiotensin Ii ◽

Ab Initio Calculations ◽

Ab Initio ◽

Receptor Antagonist ◽

Electrostatic Potential ◽

Angiotensin Ii Receptor ◽

X Ray Diffraction ◽

Angiotensin Ii Receptor Antagonist ◽

X Ray

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Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity
Latest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Kluwer Academic Publishers

Magnetisation densities and polarised neutron diffraction: optimised flipping ratio measurements

‘Compton microscope effect’?: image of intra-unit-cell atom theoretically observed in compton B(r)-function

Maximum entropy reconstruction of spin densities involving non-uniform prior

Interaction energy and density in the water dimer. A quantum theory of atoms in molecules: insight on the effect of basis set superposition error removal

Three-dimensional reconstruction of electron momentum densities and occupation number densities of Cu and CuAl alloys

Reliability of charge density distributions derived by the maximum entropy method

Accurate structure factor determination using 100 keV synchrotron radiation

Transferability, adjustability, and additivity of fuzzy electron density fragments

Topological analysis of X-ray protein relative density maps utilizing the eigenvector following method

Electrostatic potential of a new angiotensin II receptor antagonist from X-ray diffraction and ab initio calculations

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Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical ReactivityLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Kluwer Academic Publishers

Magnetisation densities and polarised neutron diffraction: optimised flipping ratio measurements

‘Compton microscope effect’?: image of intra-unit-cell atom theoretically observed in compton B(r)-function

Maximum entropy reconstruction of spin densities involving non-uniform prior

Interaction energy and density in the water dimer. A quantum theory of atoms in molecules: insight on the effect of basis set superposition error removal

Three-dimensional reconstruction of electron momentum densities and occupation number densities of Cu and CuAl alloys

Reliability of charge density distributions derived by the maximum entropy method

Accurate structure factor determination using 100 keV synchrotron radiation

Transferability, adjustability, and additivity of fuzzy electron density fragments

Topological analysis of X-ray protein relative density maps utilizing the eigenvector following method

Electrostatic potential of a new angiotensin II receptor antagonist from X-ray diffraction and ab initio calculations

Understanding Chemical Reactivity - Electron, Spin and Momentum Densities and Chemical Reactivity
Latest Publications