Natural Bond–Bond Polarizability: A Hückel-Like Electronic Delocalization Index

2012 ◽  
Vol 78 (5) ◽  
pp. 1844-1850 ◽  
Author(s):  
H. E. Zimmerman ◽  
F. Weinhold
Keyword(s):  
Delocalization Index ◽  
Electronic Delocalization ◽  
Bond Polarizability

Bond polarizability approach to nonlinear phenomena in crystals

1999 ◽  
Author(s):  
Wlodzimierz Kucharczyk
Keyword(s):  
Nonlinear Phenomena ◽  
Bond Polarizability

scholarly journals Correction to “In Silico Analysis of the Electronic Delocalization in Some Double Fused-Ring Metallabenzenes”

ACS Omega ◽  
2021 ◽  
Author(s):  
David Arias-Olivares ◽  
Andrés Becerra-Buitrago ◽  
Luis Carlos García-Sánchez ◽  
Rafael Islas
Keyword(s):  
In Silico ◽  
In Silico Analysis ◽  
Electronic Delocalization ◽  
Fused Ring ◽  
Silico Analysis

Correlation Effects in EOM-CCSD for the Excited States:  Evaluated by AIM Localization Index (LI) and Delocalization Index (DI)

2007 ◽  
Vol 111 (18) ◽  
pp. 3592-3601 ◽  
Author(s):  
Yi-Gui Wang ◽  
Kenneth B. Wiberg ◽  
Nick H. Werstiuk
Keyword(s):  
Excited States ◽  
Correlation Effects ◽  
Localization Index ◽  
Delocalization Index

Mixed-valence molecules: Electronic delocalization and stabilization

1984 ◽  
Vol 60 ◽  
pp. 107-129 ◽  
Author(s):  
David E. Richardson ◽  
Henry Taube
Keyword(s):  
Mixed Valence ◽  
Electronic Delocalization

When does electronic delocalization become a driving force of chemical bonding?

1988 ◽  
Vol 92 (18) ◽  
pp. 5086-5094 ◽  
Author(s):  
Sason S. Shaik ◽  
Philippe C. Hiberty ◽  
Gilles Ohanessian ◽  
Jean Michel Lefour
Keyword(s):  
Chemical Bonding ◽  
Driving Force ◽  
Electronic Delocalization

Synthesis and Electronic Spectra of Disilatriptycene Oligomers: Evidence for Electronic Delocalization along the One-Dimensional Arrangement of Bridge-Head Disilanes

2008 ◽  
Vol 27 (21) ◽  
pp. 5441-5445 ◽  
Author(s):  
Shohei Sase ◽  
Yoen-Seok Cho ◽  
Atsushi Kawachi ◽  
Atsushi Wakamiya ◽  
Shigehiro Yamaguchi ◽  
...  
Keyword(s):  
Electronic Spectra ◽  
One Dimensional ◽  
Electronic Delocalization ◽  
The One

Solvent control of oxidation state distribution and electronic delocalization in an osmium-ruthenium, mixed-metal dimer

1986 ◽  
Vol 108 (17) ◽  
pp. 5349-5350 ◽  
Author(s):  
Joseph T. Hupp ◽  
Gregory A. Neyhart ◽  
Thomas J. Meyer
Keyword(s):  
Oxidation State ◽  
State Distribution ◽  
Mixed Metal ◽  
Electronic Delocalization ◽  
Solvent Control ◽  
Oxidation State Distribution

ChemInform Abstract: Is There Any Electronic Delocalization Operative in cis-1,2-Dihydro-1, 2-diphosphetes? Structural Comparison of cis and trans-1,2-Dihydro-1,2- diphosphetes.

ChemInform ◽  
2010 ◽  
Vol 24 (2) ◽  
pp. no-no
Author(s):  
N. MAIGROT ◽  
L. RICARD ◽  
C. CHARRIER ◽  
P. LE GOFF ◽  
F. MATHEY
Keyword(s):  
Structural Comparison ◽  
Electronic Delocalization ◽  
Cis And Trans ◽  
In Cis
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