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The bond-dissociation energies of several different bonds of the same type can vary even within a single molecule. For example, a water molecule is composed of two O–H bonds bonded as H–O–H. The bond energy for H 2 O is the average energy required to break each of the two O–H bonds in sequence:
Bond energy and bond-dissociation energy are measures of the binding energy between the atoms in a chemical bond. It is the energy required to disassemble a molecule into its constituent atoms. This energy appears as chemical energy, such as that released in chemical explosions, the burning of chemical fuel and biological processes. Bond ...
The term bond-dissociation energy is similar to the related notion of bond-dissociation enthalpy (or bond enthalpy), which is sometimes used interchangeably.However, some authors make the distinction that the bond-dissociation energy (D 0) refers to the enthalpy change at 0 K, while the term bond-dissociation enthalpy is used for the enthalpy change at 298 K (unambiguously denoted DH° 298).
Such thermal energy manifests itself, however, in changes in the non-chemical state variables (such as temperature, pressure, volume) of the joint systems, as well as the changes in the mole numbers of the chemical constituents that describe the chemical reaction. [citation needed] Internal energy is defined with respect to some standard state.
Pauling obtained the first equation by noting that a bond can be approximately represented as a quantum mechanical superposition of a covalent bond and two ionic bond-states. The covalent energy of a bond is approximate, by quantum mechanical calculations, the geometric mean of the two energies of covalent bonds of the same molecules, and there ...
A force field is used to minimize the bond stretching energy of this ethane molecule. Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular ...
A graphical representation of the semi-empirical binding energy formula. The binding energy per nucleon in MeV (highest numbers in yellow, in excess of 8.5 MeV per nucleon) is plotted for various nuclides as a function of Z, the atomic number (y-axis), vs. N, the number of neutrons (x-axis). The highest numbers are seen for Z = 26 (iron).
The strain energy of a cycloalkane is the increase in energy caused by the compound's geometry, and is calculated by comparing the experimental standard enthalpy change of combustion of the cycloalkane with the value calculated using average bond energies. Molecular mechanics calculations are well suited to identify the many conformations ...