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GAMESS (US) can perform several general computational chemistry calculations, including Hartree–Fock method, density functional theory (DFT), generalized valence bond (GVB), and multi-configurational self-consistent field (MCSCF).
Q-Chem can perform a number of general quantum chemistry calculations, such as Hartree–Fock, density functional theory (DFT) including time-dependent DFT (), Møller–Plesset perturbation theory (MP2), coupled cluster (CC), equation-of-motion coupled-cluster (EOM-CC), [10] [11] [12] configuration interaction (CI), algebraic diagrammatic construction (ADC), and other advanced electronic ...
The second part contains 8 free response questions. Complete written explanations and calculations are required for full credit on a question, and partial credit is awarded. More thorough knowledge of basic theories is required, and often there are questions on less-emphasized portions of normal high school chemistry curricula, such as organic ...
General chemistry professors have been known to make tests worth a large portion of the course, and make them more challenging than the material presents itself as. Grade deflation, purposely adjusting the grades of a course to be lower, is also an issue of general chemistry courses at the undergraduate level.
In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities , such as bond length or bond angle .
In chemistry, the lever rule is a formula used to determine the mole fraction (x i) or the mass fraction (w i) of each phase of a binary equilibrium phase diagram.It can be used to determine the fraction of liquid and solid phases for a given binary composition and temperature that is between the liquidus and solidus line.
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The bond valence method or mean method (or bond valence sum) (not to be mistaken for the valence bond theory in quantum chemistry) is a popular method in coordination chemistry to estimate the oxidation states of atoms. It is derived from the bond valence model, which is a simple yet robust model for validating chemical structures with ...
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