Ditemukan 3 dokumen yang sesuai dengan query
Jerzy Leszczynski, editor
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This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “structural chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, ...
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Dordrecht, Netherlands: Springer, 2012
e20406012
eBooks Universitas Indonesia Library
Jerzy Leszczynski, editor
Dordrecht, Netherlands: Springer, 2012
e
eBooks Universitas Indonesia Library
Jerzy Leszczynski, editor
"
This volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent ...
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Dordrecht, Netherlands: Springer, 2012
e20406017
eBooks Universitas Indonesia Library
