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VX is an odorless and tasteless [13] [14] chiral organophosphorous chemical with a molecular weight of 267.37 g/mol. [15] Under standard conditions it is an amber-coloured liquid with a boiling point of 298 °C (568 °F), and a freezing point of −51 °C (−60 °F). [16]
In aeronautics, the rate of climb (RoC) is an aircraft's vertical speed, that is the positive or negative rate of altitude change with respect to time. [1] In most ICAO member countries, even in otherwise metric countries, this is usually expressed in feet per minute (ft/min); elsewhere, it is commonly expressed in metres per second (m/s).
It is a special case of the configuration interaction method in which all Slater determinants (or configuration state functions, CSFs) of the proper symmetry are included in the variational procedure (i.e., all Slater determinants obtained by exciting all possible electrons to all possible virtual orbitals, orbitals which are unoccupied in the electronic ground state configuration).
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 ...
COSMO [1] [2] (COnductor-like Screening MOdel) is a calculation method for determining the electrostatic interaction of a molecule with a solvent. COSMO is a dielectric continuum model [1] [3] [4] [5] (a.k.a. continuum solvation model). These models can be used in computational chemistry to model solvation effects. COSMO has become a popular ...
Free-energy perturbation (FEP) is a method based on statistical mechanics that is used in computational chemistry for computing free-energy differences from molecular dynamics or Metropolis Monte Carlo simulations. The FEP method was introduced by Robert W. Zwanzig in 1954. [1]
Liquid oxygen has a clear cyan color and is strongly paramagnetic: it can be suspended between the poles of a powerful horseshoe magnet. [2] Liquid oxygen has a density of 1.141 kg/L (1.141 g/ml), slightly denser than liquid water, and is cryogenic with a freezing point of 54.36 K (−218.79 °C; −361.82 °F) and a boiling point of 90.19 K (−182.96 °C; −297.33 °F) at 1 bar (14.5 psi).
The final calculation comes from the CH 3 groups connected to the 2' carbon; C−(C)(H) 3. The total calculations add to −5.15 kcal/mol (−21.6 kJ/mol), which is identical to the experimental value, which can be found in the National Institute of Standards and Technology Chemistry WebBook. [15]