quantum chemistry

quantum chemistry
kvantinė chemija statusas T sritis chemija apibrėžtis Mokslas, kvantinės mechanikos metodais tiriantis cheminių junginių sandarą ir savybes. atitikmenys: angl. quantum chemistry rus. квантовая химия

Chemijos terminų aiškinamasis žodynas – 2-asis patais. ir papild. leid. – Vilnius: Mokslo ir enciklopedijų leidybos institutas. . 2003.

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  • Quantum chemistry — is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behavior of atoms and molecules as pertaining to their reactivity is one …   Wikipedia

  • quantum chemistry — the application of quantum mechanics to the study of chemical phenomena. [1940 45] * * * quantum chemistry, the quantum theory applied to the study of chemical systems and processes …   Useful english dictionary

  • quantum chemistry — kvantinė chemija statusas T sritis fizika atitikmenys: angl. quantum chemistry vok. Quantenchemie, f rus. квантовая химия, f pranc. chimie quantique, f …   Fizikos terminų žodynas

  • Quantum chemistry computer programs — are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree Fock and some post Hartree Fock methods. They may also include density functional theory, molecular mechanics or semi empirical quantum… …   Wikipedia

  • Quantum chemistry composite methods — are ab initio post Hartree Fock methods in computational chemistry that aim for high accuracy by combining the results of several calculations. They combine methods with a high level of theory and a small basis set with methods that employ lower… …   Wikipedia

  • quantum chemistry — the application of quantum mechanics to the study of chemical phenomena. [1940 45] * * * …   Universalium

  • quantum chemistry — noun the application of quantum mechanics to chemical problems …   Wiktionary

  • 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

  • International Journal of Quantum Chemistry —   Titre abrégé Int. J. Quantum Chem. Discipline Chim …   Wikipédia en Français

  • Direct quantum chemistry — covers a set of quantum chemical methods not using the Born–Oppenheimer representation. Direct quantum chemistry considers the motion of the nuclei and the electrons on the same time scales. The method therefore considers the molecular… …   Wikipedia

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