Bond Energy of WaterIt is shown in this note that the modified form of the Lippincott-Schroeder potential function [1, 2] which has been extensively used by us in theoretical studies of the vibrational spectra of liquid water [3, 4] gives a reasonably good value of the bond energy....
In all cases, the primary product is endothermic loss of one water molecule. The cross-section thresholds are interpreted to yield 0 K bond energies after accounting for the effects of multiple ion-molecule collisions, internal energy of the clusters, and dissociation lifetimes. Our results are ...
Extended double zeta Gaussian basis SCF LCAO MO calculations have been performed on various configurations of the linearly hydrogen-bonded water dimer and two of the triplet clusters which occur in both cubic and hexagonal ices. A hydrogen bond energy of −4.72 kcal/mole was found for the dimer...
This free energy will be close to the theoretical maximum intrinsic binding energy of a hydrogen bond. It is found that the formation of a hydrogen bond is highly favorable in both aqueous and nonpolar solvents by a mean value of -26 kJ mol-1 in water and -32 kJ mol-1 in tetrachloro...
nucleus may be wasted, and addingelectronsbeyond a closed shell would entail the energetic disadvantage of beginning the next shell of the atom concerned. Lewis’s octet rule is again applicable and is seen to represent the extreme means of achieving lower energy rather than being a goal in ...
The hydrogen bond energies of the conjugate ions (OH and CH 3 O ) with a water molecule were calculated to be 2.3 kcal/mol near the Hartree–Fock limit; this energy only amounts to 25% of the (total) hydration energy ... S Ikuta - 《Journal of Computational Chemistry》 被引量: 84...
of the conductors. The electric energy of a set of charges at rest can be viewed from the standpoint of theworkrequired to assemble the charges; alternatively, the energy also can be considered to reside in the electric field produced by this assembly of charges. Finally, energy can be ...
Renewable energy liberation by nonthermal intermolecular bond dissociation in water and ethanol Prior indication that renewable energy can be extracted from hydrogen bonds in water has led to several investigations of the energy balance when bulk liqu... N Graneau,S Verdoold,G Oudakker,... - 《...
Polylacticacid (PLA) was submitted to high-flux carbon ion implantation with energy of 40 keV. It was investigated to the effect of ion fluence (1 × 10 12–1 × 10 15 ions/cm 2) on the properties of the polymer. X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM),...
homolytic cleavage actually might readily be broken by heterolysis. For example, the bond H–F requires significant energy to dissociate by homolysis, but it is readily dissociated via heterolysis, into H+and F–when placed in water. This phenomenon is highly dependent on the nature of...