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Organotransition metal chemistry : from bonding to catalysis

Tác giả: John Hartwig

Organotransition Metal Chemistry From Bonding to Catalysis provides a selective, but thorough and authoritative coverage of the fundamentals of organometallic chemistry, the elementary reactions of these complexes, and many catalytic processes occurring through organometallic intermediates. Built ...

Time-dependent density-functional theory : concepts and applications

Tác giả: Carsten Ullrich

The book begins with a self-contained review of ground-state DFT, followed by a detailed and pedagogical treatment of the formal framework of TDDFT. It is explained how excitation energies can be calculated from linear-response TDDFT. Among the more advanced topics are time-dependent ...

Molecular electronic-structure theory

Tác giả: Trygve Helgaker, Poul Jorgensen, Jeppe Olsen

Topics covered in the book include: Second quantization with spin adaptation. Gaussian basis sets and molecular-integral evaluation. Hartree-Fock theory. Configuration-interaction and multi-configurational self-consistent theory. Coupled-cluster theory for ground and excited states. Perturbation ...

Chemical bonding in solids

Tác giả: Jeremy K. Burdett

In Chemical Bonding in Solids, renowned chemist Jeremy K. Burdett offers a clear and much-needed synthesis of chemical bonding theory and solid state structural considerations. Over the past fifteen years, the delocalized orbital model favored by molecular chemists--the model of choice for ...

International conference on spectroscopy & applications Danang-ICSA-2013 : Duy Tan University Da Nang, 26-29 november 2013 Vietnam

Nhóm Tác giả: Duy Tan University

New applications in optical spectroscopy; Spectroscopy in nanomaterials; Spectroscopy in gemmology; Quantum information; Spectroscopy in biosciences; Spectroscopy in pharmaceuticals; Spectroscopy applied to environmental problems; Spectroscopy applied to archeology...