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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).
General chemistry (sometimes referred to as "gen chem") is offered by colleges and universities as an introductory level chemistry course usually taken by students during their first year. [1] The course is usually run with a concurrent lab section that gives students an opportunity to experience a laboratory environment and carry out ...
The relative activity of a species i, denoted a i, is defined [4] [5] as: = where μ i is the (molar) chemical potential of the species i under the conditions of interest, μ o i is the (molar) chemical potential of that species under some defined set of standard conditions, R is the gas constant, T is the thermodynamic temperature and e is the exponential constant.
The general expression Qualitative Analysis [...] refers to analyses in which substances are identified or classified on the basis of their chemical or physical properties, such as chemical reactivity, solubility, molecular weight, melting point, radioactivity properties (emission, absorption), mass spectra, nuclear half-life, etc. Quantitative Analysis refers to analyses in which the amount ...
The mole is widely used in chemistry as a convenient way to express amounts of reactants and amounts of products of chemical reactions. For example, the chemical equation 2 H 2 + O 2 → 2 H 2 O can be interpreted to mean that for each 2 mol molecular hydrogen (H 2) and 1 mol molecular oxygen (O 2) that react, 2 mol of water (H 2 O) form.
Woodward's rules, named after Robert Burns Woodward and also known as Woodward–Fieser rules (for Louis Fieser) are several sets of empirically derived rules which attempt to predict the wavelength of the absorption maximum (λ max) in an ultraviolet–visible spectrum of a given compound.