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These molecular orbitals are restricted to

См. также в других словарях:

  • Molecular term symbol — In molecular physics, the molecular term symbol is a shorthand expression of the group representation and angular momenta that characterize the state of a molecule, i.e. its electronic quantum state which is an eigenstate of the electronic… …   Wikipedia

  • Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

  • Molecular Hamiltonian — In atomic, molecular, and optical physics as well as in quantum chemistry, molecular Hamiltonian is the name given to the Hamiltonian representing the energy of the electrons and nuclei in a molecule. This Hermitian operator and the associated… …   Wikipedia

  • Hartree-Fock — In computational physics and computational chemistry, the Hartree Fock (HF) method is an approximate method for the determination of the ground state wavefunction and ground state energy of a quantum many body system.The Hartree Fock method… …   Wikipedia

  • spectroscopy — spectroscopist /spek tros keuh pist/, n. /spek tros keuh pee, spek treuh skoh pee/, n. the science that deals with the use of the spectroscope and with spectrum analysis. [1865 70; SPECTRO + SCOPY] * * * Branch of analysis devoted to identifying… …   Universalium

  • Orbital hybridisation — Four sp3 orbitals. Three sp2 orbitals. In …   Wikipedia

  • Multi-configurational self-consistent field — Electronic structure methods Tight binding Nearly free electron model Hartree–Fock method Modern valence bond Generalized valence bond Møller–Plesset perturbation theory …   Wikipedia

  • Ab initio quantum chemistry methods — are computational chemistry methods based on quantum chemistry.[1] The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene.[2][3] The… …   Wikipedia

  • Mathematics and Physical Sciences — ▪ 2003 Introduction Mathematics       Mathematics in 2002 was marked by two discoveries in number theory. The first may have practical implications; the second satisfied a 150 year old curiosity.       Computer scientist Manindra Agrawal of the… …   Universalium

  • chemistry — /kem euh stree/, n., pl. chemistries. 1. the science that deals with the composition and properties of substances and various elementary forms of matter. Cf. element (def. 2). 2. chemical properties, reactions, phenomena, etc.: the chemistry of… …   Universalium

  • coordination compound — Chem. complex (def. 10). Also called coordination complex. * * * ▪ chemistry Introduction  any of a class of substances with chemical structures in which a central metal atom is surrounded by nonmetal atoms or groups of atoms, called ligands… …   Universalium

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