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In chemistry, resonance, also called mesomerism, is a way of describing bonding in certain molecules or polyatomic ions by the combination of several contributing structures (or forms, [1] also variously known as resonance structures or canonical structures) into a resonance hybrid (or hybrid structure) in valence bond theory.
In particle physics, quantum electrodynamics (QED) is the relativistic quantum field theory of electrodynamics. [1] [2] [3] In essence, it describes how light and matter interact and is the first theory where full agreement between quantum mechanics and special relativity is achieved. [2]
In physics, relativistic quantum mechanics ( RQM) is any Poincaré covariant formulation of quantum mechanics (QM). This theory is applicable to massive particles propagating at all velocities up to those comparable to the speed of light c, and can accommodate massless particles. The theory has application in high energy physics, [1] particle ...
Quantum yield is defined by the fraction of excited state fluorophores that decay through fluorescence: where. Φf is the fluorescence quantum yield, kf is the rate constant for radiative relaxation (fluorescence), knr is the rate constant for all non-radiative relaxation processes. Non-radiative processes are excited state decay mechanisms ...
Full configuration interaction. Full configuration interaction [1] (or full CI) is a linear variational approach which provides numerically exact solutions (within the infinitely flexible complete basis set) to the electronic time-independent, non-relativistic Schrödinger equation. [2]
The International Journal of Quantum Chemistry is a peer-reviewed scientific journal publishing original, primary research and review articles on all aspects of quantum chemistry, including an expanded scope focusing on aspects of materials science, biochemistry, biophysics, quantum physics, quantum information theory, etc. [1] According to the ...
QM/MM. The hybrid QM/MM ( quantum mechanics / molecular mechanics) approach is a molecular simulation method that combines the strengths of ab initio QM calculations (accuracy) and MM (speed) approaches, thus allowing for the study of chemical processes in solution and in proteins. The QM/MM approach was introduced in the 1976 paper of Warshel ...
