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In computational chemistry, molecular physics, and physical chemistry, the Lennard-Jones potential (also termed the LJ potential or 12-6 potential; named for John Lennard-Jones) is an intermolecular pair potential. Out of all the intermolecular potentials, the Lennard-Jones potential is probably the one that has been the most extensively studied.
The power factor in a single-phase circuit (or balanced three-phase circuit) can be measured with the wattmeter-ammeter-voltmeter method, where the power in watts is divided by the product of measured voltage and current. The power factor of a balanced polyphase circuit is the same as that of any phase. The power factor of an unbalanced ...
In organic chemistry, steric effects are nearly universal and affect the rates and activation energies of most chemical reactions to varying degrees. In biochemistry, steric effects are often exploited in naturally occurring molecules such as enzymes , where the catalytic site may be buried within a large protein structure.
where is the ratio of the rate of the substituted reaction compared to the reference reaction, ρ* is the sensitivity factor for the reaction to polar effects, σ* is the polar substituent constant that describes the field and inductive effects of the substituent, δ is the sensitivity factor for the reaction to steric effects, and E s is ...
Exact wave functions, however, cannot generally be expressed as single determinants. The single-determinant approximation does not take into account Coulomb correlation, leading to a total electronic energy different from the exact solution of the non-relativistic Schrödinger equation within the Born–Oppenheimer approximation.
An electric effect influences the structure, reactivity, or properties of a molecule but is neither a traditional bond nor a steric effect. [1] In organic chemistry, the term stereoelectronic effect is also used to emphasize the relation between the electronic structure and the geometry (stereochemistry) of a molecule. The term polar effect is ...
The Stark effect is the shifting and splitting of spectral lines of atoms and molecules due to the presence of an external electric field. It is the electric-field analogue of the Zeeman effect , where a spectral line is split into several components due to the presence of the magnetic field .
Electron-withdrawing groups exert an "inductive" or "electron-pulling" effect on covalent bonds. The strength of the electron-withdrawing group is inversely proportional to the pKa of the carboxylic acid. [2] The inductive effect is cumulative: trichloroacetic acid is 1000x stronger than chloroacetic acid.