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  2. Bond energy - Wikipedia

    en.wikipedia.org/wiki/Bond_energy

    The bond dissociation energy (enthalpy) [4] is also referred to as bond disruption energy, bond energy, bond strength, or binding energy (abbreviation: BDE, BE, or D). It is defined as the standard enthalpy change of the following fission: R—X → R + X. The BDE, denoted by Dº(R—X), is usually derived by the thermochemical equation,

  3. Born–Landé equation - Wikipedia

    en.wikipedia.org/wiki/Born–Landé_equation

    The Born–Landé equation is a means of calculating the lattice energy of a crystalline ionic compound.In 1918 [1] Max Born and Alfred Landé proposed that the lattice energy could be derived from the electrostatic potential of the ionic lattice and a repulsive potential energy term.

  4. Bond-dissociation energy - Wikipedia

    en.wikipedia.org/wiki/Bond-dissociation_energy

    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).

  5. Molecular mechanics - Wikipedia

    en.wikipedia.org/wiki/Molecular_mechanics

    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.

  6. Binding energy - Wikipedia

    en.wikipedia.org/wiki/Binding_energy

    Bond energies and bond-dissociation energies are typically in the range of a few eV per bond. The bond-dissociation energy of a carbon-carbon bond is about 3.6 eV. Molecular level: Electron binding energy; Ionization energy Electron binding energy, more commonly known as ionization energy, [3] is a measure of the energy required to free an ...

  7. Water dimer - Wikipedia

    en.wikipedia.org/wiki/Water_dimer

    The first theoretical study of the water dimer was an ab initio calculation published in 1968 by Morokuma and Pedersen. [10] Since then, the water dimer has been the focus of sustained interest by theoretical chemists concerned with hydrogen bonding—a search of the CAS database up to 2006 returns over 1100 related references (73 of them in 2005).

  8. Metallic bonding - Wikipedia

    en.wikipedia.org/wiki/Metallic_bonding

    The strong bonding of metals in liquid form demonstrates that the energy of a metallic bond is not highly dependent on the direction of the bond; this lack of bond directionality is a direct consequence of electron delocalization, and is best understood in contrast to the directional bonding of covalent bonds. The energy of a metallic bond is ...

  9. Free-energy relationship - Wikipedia

    en.wikipedia.org/wiki/Free-energy_relationship

    Free energy relationships establish the extent at which bond formation and breakage happen in the transition state of a reaction, and in combination with kinetic isotope experiments a reaction mechanism can be determined. Free energy relationships are often used to calculate equilibrium constants since they are experimentally difficult to ...