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Starting with the most elementary ideas of molecular orbital theory and leading the reader to an understanding of the electronic structure, geometry and reactivity of transition metal complexes, this work provides students with a theoretical method of analysis which relies on some simple ideas (symmetry and overlap).
Transition metal complexes. --- Metal complexes. --- Complex compounds --- Metal complexes --- Transition metal compounds --- Transition metal complexes --- 539.194 --- 544.14 --- 661.78 --- 661.78 Organometallic compounds --- Organometallic compounds --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Bonding, chemical
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This text is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The volume is intended for physicists, chemists, and advanced students in chemistry.
Density functionals --- Electronic structure --- Quantum chemistry --- Quantum theory --- Density functionals. --- Electronic structure. --- Quantum chemistry. --- Quantum theory. --- fysicochemie --- Atomic physics --- Chemical bonds. Valence --- Molecular physics --- 530.145 --- 539.194 --- #WSCH:AAS2 --- Structure, Electronic --- Atomic structure --- Energy-band theory of solids --- Density functional methods --- Density functional theory --- Functional methods, Density --- Functionals, Density --- Functional analysis --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 530.145 Quantum theory --- Quantum dynamics --- Quantum mechanics --- Quantum physics --- Physics --- Mechanics --- Thermodynamics --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Excited state chemistry --- Structure électronique --- Chimie quantique --- Théorie quantique --- Fonctionnelles densité --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc
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Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the
Density functionals. --- Quantum chemistry. --- Electronic structure. --- Chemistry, Quantum --- Chemistry, Physical and theoretical --- Quantum theory --- Excited state chemistry --- Density functional methods --- Density functional theory --- Functional methods, Density --- Functionals, Density --- Functional analysis --- Structure, Electronic --- Atomic structure --- Energy-band theory of solids --- 530.145 --- 539.194 --- Density functionals --- Electronic structure --- Quantum chemistry --- #WSCH:AAS2 --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 530.145 Quantum theory --- fysicochemie
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Internet Tiered Services: Theory, Economics, and Quality of Service (QoS) presents a theoretical framework for reasoning about and pricing Internet tiered services, and develops a practical algorithmic toolset for network providers to develop customized menus of service offerings. The material includes a comprehensive study of the design, sizing, and pricing of tiered structures for Internet services, and illustrates their potential in simplifying the operation of complex components such as packet schedulers. Specifically, the book addresses the following issues: Optimization of service tier selection and sizing, using fundamental concepts from location theory; several variants of the problem are considered, including deterministic vs. stochastic demands. Economic models for optimal pricing of service tiers that take into account simultaneously the (usually conflicting) objectives of users and providers. Models for optimizing "bundles of services," e.g., when a provider offers a service that includes both access bandwidth and data storage. Applications of tiered services in simplifying important QoS functions in the network, including fair packet scheduling. Internet Tiered Services: Theory, Economics, and Quality of Service is a useful resource for engineers in the fields of Internet services, economics, and quality of service (QoS) in network resource allocation.
Molecular theory --- 539.194 --- 541.574 --- 541.67 --- 541.67 Relation of chemical structure to electrical and magnetic properties --- Relation of chemical structure to electrical and magnetic properties --- 541.574 Metallic bonds --- Metallic bonds --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- Chemistry, Physical and theoretical --- Matter --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc --- Constitution --- Internet service providers --- Quality control. --- Prices. --- IAPs (Internet service providers) --- Internet access providers --- Internet service industry --- ISPs (Internet service providers) --- Internet industry --- Molecular theory. --- Telecommunication. --- Computer Communication Networks. --- Communications Engineering, Networks. --- Signal, Image and Speech Processing. --- Electric communication --- Mass communication --- Telecom --- Telecommunication industry --- Telecommunications --- Communication --- Information theory --- Telecommuting --- Electrical engineering. --- Computer communication systems. --- Signal processing. --- Image processing. --- Speech processing systems. --- Computational linguistics --- Electronic systems --- Modulation theory --- Oral communication --- Speech --- Telecommunication --- Singing voice synthesizers --- Pictorial data processing --- Picture processing --- Processing, Image --- Imaging systems --- Optical data processing --- Processing, Signal --- Information measurement --- Signal theory (Telecommunication) --- Communication systems, Computer --- Computer communication systems --- Data networks, Computer --- ECNs (Electronic communication networks) --- Electronic communication networks --- Networks, Computer --- Teleprocessing networks --- Data transmission systems --- Digital communications --- Information networks --- Cyberinfrastructure --- Electronic data processing --- Network computers --- Electric engineering --- Engineering --- Distributed processing
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