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[PDF] Package 'rcdk'

[PDF] from psu.eduR Guha… - 2011 - Citeseer
... aliphatic (atom) is. in. ring (atom) Arguments atom A jobjRef representing an IAtom object Value
In the case of get. ... atoms 9 get. atoms Get the atoms from a molecule or bond Description This
function returns a list containing IAtom objects from a molecule or a bond. Usage get. ...
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Charge transfer on the metallic atom-pair bond and the bond energy

TP Rajasekharan… - Journal of Materials …, 2011 - Cambridge Univ Press
... contribution to the bond energy. The energy involved in removing an electron from
an atom14,15 is Iatom þ Eatom 2 , and hence the positive contri- bution is DHþve 5
IAþEA 2 À IBþEB 2 & ' Á DN1/3 2 , in eV , ð3Þ where IA and EA ...

Integrated information increases with fitness in the simulated evolution of autonomous agents

[PDF] from arxiv.orgJ Edlund, N Chaumont, A Hintze, C Koch… - Arxiv preprint arXiv: …, 2011 - arxiv.org
... For example, we can define the information processed by the network above and beyond the
information processed by the individual nodes as Iatom = I(Xj : Xj+1) − n ∑ i I(X (i) j : X (i) j+1) ,
(10) Page 6. 6 = AND A B ... each node i, we see that Iatom = −H(Xj|Xj+1) + n ∑ ...
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Light scattering from ultracold atomic gases in optical lattices at finite temperature

[PDF] from arxiv.orgJS Douglas… - Arxiv preprint arXiv:1105.5383, 2011 - arxiv.org
... 4 over frequency. This gives Itotal(kf ) = Iatom(θ) × S(ki − |ki|kf ), (6) where Iatom(θ) =
9Iinγ2(1 + cos(θ)2)/(32hck3 i ∆2) is the scattering distribution resulting from the electronic
structure of the atom and laser intensity Iin = ǫ0c|E|2/2, and ...
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[PDF] Protein-protein recognition using F2Dock

[PDF] from utexas.eduM Rasheed - 2011 - cs.utexas.edu
... Also let iAtoms t,r(A, B) = iAtoms t,r(A) + iAtoms t,r(B), for s ∈ {+, − Then we assign
the following interface propensity score to the docking pose: IP-scoret,r(A, B) = − ∑
a∈iAtom+ t,r(A,B) IP(a) min ( IPϵ, ∑a∈iAtom− t,r(A,B) IP(a) ), ...
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