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"This new edition of a bestselling reference on applied molecular orbital theory covers organic, organometallic, inorganic, and solid state chemistry, demonstrating how common orbital situations arise through the whole chemical spectrum. This latest edition features a new chapter on current concepts in solid state chemistry, examples of recent advances in the field, more detailed information on trends in the periodic table, expanded information on the mechanics of group theory, and a new chapter on metals. An essential reference for chemists in the areas of organic, inorganic, solid state, and computational chemistry"--

Quantum chemistry --- fysicochemie --- SCIENCE / Chemistry / Physical & Theoretical. --- Molecular orbitals. --- Orbites moléculaires --- Molecular orbitals --- 541.57 --- 539.194 --- Bonds --- Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 539.194 Internal mechanics of molecules. Energy relationships. Vibration and rotation in molecules. Electronic levels. Bonds. Resonance energies, potentials. Nuclear coupling. Polarizability etc. --- 541.57 Bonds --- Orbites moléculaires --- Orbitals, Molecular --- Chemical bonds --- Electrons --- Molecules --- Overlap integral --- Valence (Theoretical chemistry) --- Wave mechanics --- 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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This book of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), an American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.

Research & information: general --- Chemistry --- Physical chemistry --- structure --- bonding --- physical properties --- collective or localized electrons --- exchange integral --- p-magnetism --- boron sub-oxide --- interstitial atoms --- DFT --- DOS --- ELF --- charge density plots --- bifunctional catalyst --- hybrid catalyst --- oxygen reduction reaction --- oxygen evolution reaction --- four-electron pathway --- lithium ionic conductor --- perovskite structure --- solid electrolyte --- oxide --- lithium-sulfur batteries --- tungsten oxide nanowire --- interlayer --- thiosulfate mediator --- Keywords: spin exchange --- magnetic orbitals --- ligand p-orbital tails --- M–L–M exchange --- M–L…L–M exchange --- α-CuV2O6 --- LiCuVO4 --- (CuCl)LaNb2O7 --- Cu3(CO3)2(OH)2 --- spin Hamiltonian --- magnetism --- energy-mapping analysis --- four-state method --- Green’s function method --- magnetic ground state --- spin exchange --- magnetic anisotropy --- molecular anion --- MPS3 --- qualitative rules --- batteries --- positive electrode --- vanadium phosphates --- covalent vanadyl bond --- mixed anion --- density functional theory --- quantum Monte Carlo --- fast Li+ ion conductor --- Li-ion battery --- spinel --- solid-state battery --- cathode-electrolyte interface --- indigo carmine --- solid polymer electrolyte --- solid state battery --- LMP® technology --- organic battery --- layered oxide cathodes --- alkali–alkali interactions --- electronic structure --- Li diffusion --- defect engineering --- perovskite electrolyte --- lithium-ion battery --- migration pathway --- anisotropic response --- cathode --- polyanion --- high-voltage --- n/a --- M-L-M exchange --- M-L...L-M exchange --- Green's function method --- alkali-alkali interactions

Choose an application

• Reference Manager
• EndNote
• RefWorks (Direct export to RefWorks)

This book of Molecules is dedicated to Professor John B. Goodenough (born July 25, 1922, Jena, Germany), an American physicist, who won the 2019 Nobel Prize for Chemistry for his work on developing lithium-ion batteries.

Research & information: general --- Chemistry --- Physical chemistry --- structure --- bonding --- physical properties --- collective or localized electrons --- exchange integral --- p-magnetism --- boron sub-oxide --- interstitial atoms --- DFT --- DOS --- ELF --- charge density plots --- bifunctional catalyst --- hybrid catalyst --- oxygen reduction reaction --- oxygen evolution reaction --- four-electron pathway --- lithium ionic conductor --- perovskite structure --- solid electrolyte --- oxide --- lithium-sulfur batteries --- tungsten oxide nanowire --- interlayer --- thiosulfate mediator --- Keywords: spin exchange --- magnetic orbitals --- ligand p-orbital tails --- M-L-M exchange --- M-L...L-M exchange --- α-CuV2O6 --- LiCuVO4 --- (CuCl)LaNb2O7 --- Cu3(CO3)2(OH)2 --- spin Hamiltonian --- magnetism --- energy-mapping analysis --- four-state method --- Green's function method --- magnetic ground state --- spin exchange --- magnetic anisotropy --- molecular anion --- MPS3 --- qualitative rules --- batteries --- positive electrode --- vanadium phosphates --- covalent vanadyl bond --- mixed anion --- density functional theory --- quantum Monte Carlo --- fast Li+ ion conductor --- Li-ion battery --- spinel --- solid-state battery --- cathode-electrolyte interface --- indigo carmine --- solid polymer electrolyte --- solid state battery --- LMP® technology --- organic battery --- layered oxide cathodes --- alkali-alkali interactions --- electronic structure --- Li diffusion --- defect engineering --- perovskite electrolyte --- lithium-ion battery --- migration pathway --- anisotropic response --- cathode --- polyanion --- high-voltage --- structure --- bonding --- physical properties --- collective or localized electrons --- exchange integral --- p-magnetism --- boron sub-oxide --- interstitial atoms --- DFT --- DOS --- ELF --- charge density plots --- bifunctional catalyst --- hybrid catalyst --- oxygen reduction reaction --- oxygen evolution reaction --- four-electron pathway --- lithium ionic conductor --- perovskite structure --- solid electrolyte --- oxide --- lithium-sulfur batteries --- tungsten oxide nanowire --- interlayer --- thiosulfate mediator --- Keywords: spin exchange --- magnetic orbitals --- ligand p-orbital tails --- M-L-M exchange --- M-L...L-M exchange --- α-CuV2O6 --- LiCuVO4 --- (CuCl)LaNb2O7 --- Cu3(CO3)2(OH)2 --- spin Hamiltonian --- magnetism --- energy-mapping analysis --- four-state method --- Green's function method --- magnetic ground state --- spin exchange --- magnetic anisotropy --- molecular anion --- MPS3 --- qualitative rules --- batteries --- positive electrode --- vanadium phosphates --- covalent vanadyl bond --- mixed anion --- density functional theory --- quantum Monte Carlo --- fast Li+ ion conductor --- Li-ion battery --- spinel --- solid-state battery --- cathode-electrolyte interface --- indigo carmine --- solid polymer electrolyte --- solid state battery --- LMP® technology --- organic battery --- layered oxide cathodes --- alkali-alkali interactions --- electronic structure --- Li diffusion --- defect engineering --- perovskite electrolyte --- lithium-ion battery --- migration pathway --- anisotropic response --- cathode --- polyanion --- high-voltage