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JCC
2007
110views more  JCC 2007»
13 years 8 months ago
Improved grid-based algorithm for Bader charge allocation
: An improvement to the grid-based algorithm of Henkelman et al. for the calculation of Bader volumes is suggested, which more accurately calculates atomic properties as predicted ...
Edward Sanville, Steven D. Kenny, Roger Smith, Gra...
JCC
2007
80views more  JCC 2007»
13 years 8 months ago
In between worlds: G.N. Lewis, the shared pair bond and its multifarious contexts
: In this paper, I will look at the rather convoluted discovery process which gave birth to the concept of the shared electron pair bond as developed by G.N. Lewis, to be subsequen...
Ana Simões
JCC
2007
71views more  JCC 2007»
13 years 8 months ago
A survey of recent developments in ab initio valence bond theory
Abstract: Starting from the 1980s and onwards, Valence Bond theory has been enjoying renaissance that is characterized by the development of a growing number of ab initio methods, ...
Philippe C. Hiberty, Sason Shaik
TNN
2008
106views more  TNN 2008»
13 years 8 months ago
Stability and Hopf Bifurcation of a General Delayed Recurrent Neural Network
In this paper, stability and bifurcation of a general recurrent neural network with multiple time delays is considered, where all the variables of the network can be regarded as bi...
Wenwu Yu, Jinde Cao, Guanrong Chen
TON
2008
239views more  TON 2008»
13 years 8 months ago
Characterization of failures in an operational IP backbone network
Abstract--As the Internet evolves into a ubiquitous communication infrastructure and supports increasingly important services, its dependability in the presence of various failures...
Athina Markopoulou, Gianluca Iannaccone, Supratik ...