Electron Momentum Spectroscopy of 1-Butene: A Theoretical Analysis Using Molecular Dynamics and Molecular Quantum Similarity

2013 ◽  
Vol 117 (35) ◽  
pp. 8388-8398 ◽  
Author(s):  
S. H. Reza Shojaei ◽  
Jelle Vandenbussche ◽  
Michael S. Deleuze ◽  
Patrick Bultinck
Keyword(s):  
Molecular Dynamics ◽  
Theoretical Analysis ◽  
Quantum Similarity ◽  
Electron Momentum ◽  
Electron Momentum Spectroscopy ◽  
Molecular Quantum Similarity

Electron momentum spectroscopy of atoms, molecules, and thin films

1999 ◽  
Vol 169 (10) ◽  
pp. 1111 ◽  
Author(s):  
Vladimir G. Neudachin ◽  
Yurii V. Popov ◽  
Yurii F. Smirnov
Keyword(s):  
Thin Films ◽  
Electron Momentum ◽  
Electron Momentum Spectroscopy

Electron momentum spectroscopy of N2O

2003 ◽  
Vol 133 (1-3) ◽  
pp. 113-121 ◽  
Author(s):  
Y. Khajuria ◽  
M. Takahashi ◽  
Y. Udagawa
Keyword(s):  
Electron Momentum ◽  
Electron Momentum Spectroscopy

The electronic structure of different forms of solid carbon studied by electron momentum spectroscopy

1998 ◽  
Vol 87 (3) ◽  
pp. 231-251 ◽  
Author(s):  
M. Vos ◽  
A. Kheifets ◽  
E. Weigold ◽  
S.A. Canney ◽  
F.F. Kurp
Keyword(s):  
Electronic Structure ◽  
Solid Carbon ◽  
Electron Momentum ◽  
Electron Momentum Spectroscopy

An electron momentum spectroscopy study of the highest occupied molecular orbital of difluoromethane

2004 ◽  
Vol 390 (1-3) ◽  
pp. 162-165 ◽  
Author(s):  
G.L. Su ◽  
C.G. Ning ◽  
S.F. Zhang ◽  
X.G. Ren ◽  
H. Zhou ◽  
...  
Keyword(s):  
Molecular Orbital ◽  
Spectroscopy Study ◽  
Electron Momentum ◽  
Highest Occupied Molecular Orbital ◽  
Electron Momentum Spectroscopy

Molecular Quantum Similarity-Based QSARs for Binding Affinities of Several Steroid Sets

2002 ◽  
Vol 42 (5) ◽  
pp. 1185-1193 ◽  
Author(s):  
Xavier Gironés ◽  
Ramon Carbó-Dorca
Keyword(s):  
Quantum Similarity ◽  
Binding Affinities ◽  
Molecular Quantum Similarity

Electron-Momentum Spectroscopy of Solids by the (e,2e) Reaction

1997 ◽  
pp. 249-259
Author(s):  
A. S. Kheifets ◽  
M. Vos ◽  
S. A. Canney ◽  
X. Guo ◽  
I. E. McCarthy ◽  
...  
Keyword(s):  
Electron Momentum ◽  
Electron Momentum Spectroscopy

Foundations and recent developments on molecular quantum similarity

1995 ◽  
pp. 31-62 ◽  
Author(s):  
Emili Besalú ◽  
Ramon Carbó ◽  
Jordi Mestres ◽  
Miquel Solà
Keyword(s):  
Quantum Similarity ◽  
Recent Developments ◽  
Molecular Quantum Similarity

Sensitive observations of orbital electron density image by electron momentum spectroscopy with different impact energies

2005 ◽  
Vol 404 (4-6) ◽  
pp. 279-283 ◽  
Author(s):  
X.G. Ren ◽  
C.G. Ning ◽  
J.K. Deng ◽  
S.F. Zhang ◽  
G.L. Su ◽  
...  
Keyword(s):  
Electron Density ◽  
Electron Momentum ◽  
Electron Momentum Spectroscopy ◽  
Orbital Electron ◽  
Density Image ◽  
Impact Energies

Molecular Quantum Similarity Measures Tuned 3D QSAR:  An Antitumoral Family Validation Study

1998 ◽  
Vol 38 (4) ◽  
pp. 624-631 ◽  
Author(s):  
Lluís Amat ◽  
David Robert ◽  
Emili Besalú ◽  
Ramon Carbó-Dorca
Keyword(s):  
Validation Study ◽  
Similarity Measures ◽  
3D Qsar ◽  
Quantum Similarity ◽  
Quantum Similarity Measures ◽  
Molecular Quantum Similarity ◽  
Molecular Quantum Similarity Measures

Molecular Quantum Similarity of Enantiomers

2006 ◽  
pp. 1486-1492
Author(s):  
S Janssens ◽  
G Boon ◽  
P Geerlings
Keyword(s):  
Quantum Similarity ◽  
Molecular Quantum Similarity
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