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Such an approach is provided by the empirical valence bond method.
It is found that CFRP hybrid bond method is more efficient for aluminum members than steel ones.
To reproduce the hopping transfer of protons, we employed a semi-classical MD approach using the empirical valence bond method.
Firstly, the reservoir rock is modeled using lattice cell version of the discretized virtual internal bond method.
It is observed that the covalent bond method using APTMS shows slightly better efficiency irrespective of the size of the particles due to the strong bonding between the hydrophilic iron oxide particles and the BSA and hence improved colloidal stability.
One is called m-k method (shear bond method) where m represents the mechanical interlocking and k represents the friction between concrete and steel deck (BS 5950: Part 4 [1994]; EN 1994-1-1 [2004]) and the other is partial shear connection (PSC) method (EN 1994-1-1 [2004]) an alternativeive to m-k method.
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In general, reliable conclusions about determinants of selectivity will require the calculation of activation energy barriers for enzyme-catalyzed reactions, including thorough consideration of conformational sampling and reliable quantum chemical (or empirical valence bond) methods.
The valence-bond method, with its emphasis on resonance between different structures as a means of analyzing aromatic molecules, dominated quantum chemistry during the 1930s.
Pauling introduced a valence-bond method, picking out one electron in each of the two combining atoms and constructing a wave function representing a paired-electron bond between them.
In treating the benzene molecule by the valence-bond method in 1933, Pauling and George W. Wheland constructed a wave function that was a linear combination of five possible structures i.e., five possible arrangements of double and single bonds.
After World War II there was a strong movement away from the valence-bond method toward the molecular-orbital method, led by Mulliken in the United States and by Charles Coulson, Lennard-Jones, H.C. Longuet-Higgins, and Michael J.S. Dewar in England.
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