What does theoretical chemistry mean?

Definitions for theoretical chemistry
the·o·ret·i·cal chem·ist·ry

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Wikidata

  1. Theoretical chemistry

    Theoretical chemistry seeks to provide explanations to chemical and physical observations. Should the properties derived from the quantum theory give a good account of the above mentioned phenomena, we derive consequences using the same theory. Should the derived consequences fall too far from the experimental evidence, we go to a different theory. G. Lewis proposed that chemical properties originated from the electrons of the atom's valence shell, ever since the theoretical chemistry has dealt with modelling of the outer electrons of interacting atoms or molecules in a reaction. Theoretical chemistry includes the fundamental laws of physics Coulomb's law, Kinetic energy, Potential energy, the Virial Theorem, Planck's Law, Pauli exclusion principle and many others to explain but also predict chemical observed phenomena. The term quantum chemistry which comes from Bohr's quantized model of electron in the atom, applies to both the time independent Schrödinger and the time dependent Dirac formulations. In general one has to distinguish, theoretical approach from mathematical formalism, plane wave, spherical harmonics, Bloch wave periodic potential. Methods that solve iteratively the energies of stationary state waves in a potential include Restricted Hartree-Fock, Multi-configurational self-consistent field but the theory pertains to Schroedinger. Related areas in theoretical chemistry include the mathematical characterization of bulk materials using the theory of Electronic band structure in a Periodic Crystal Lattice. Different theoretical approaches are Molecular mechanics and Topology. The study of the applicability of well established mathematical theories to chemistry is crucial to metals. This later area of theoretical chemistry originates from the so-called mathematical chemistry. Time Dependent Quantum Molecular Dynamics, is a modern approach to the interaction of light with molecules that vibrate and drive reactions in a desired direction.

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Numerology

  1. Chaldean Numerology

    The numerical value of theoretical chemistry in Chaldean Numerology is: 5

  2. Pythagorean Numerology

    The numerical value of theoretical chemistry in Pythagorean Numerology is: 2


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"theoretical chemistry." Definitions.net. STANDS4 LLC, 2024. Web. 28 Apr. 2024. <https://www.definitions.net/definition/theoretical+chemistry>.

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