Harthcock, M.A., Laane, J.: Calculation of Kinetic Energy Terms for the Vibrational Ham- iltonian: Application to Large-Amplitude Vibrations Using One-, Two-, and Three- Dimensional Models. J. Mol. Spectrosc. 91, 300-324 (1982)
Vector methods have been developed for the computation of the kinetic energy (reciprocal reduced mass) expressions for the ring-twisting and ring-bending vibrations of bicyclic molecules in the tetralin family. The definitions of the bond vectors in terms of these coordinates are presented. Both one...
What is its total kinetic energy? (B) Convert your answer from part A to an equivalent in megatons of TNT, the unit used for nuclear bombs. Comment on the degree of devastation the impact of such a comet could cause if it struck a populated region on Earth. (Hint: One megaton of ...
A 215 g particle is released from rest at point A inside a smooth hemispherical bowl of radius 30.0 cm. Point B to C have Height= 2/3(R) Calculate the following: A. The gravitational potential energy at A relative to B B. The particle's kinetic energy at B c. Th particle's speed...
A second calculation of released energy can be made based on the kinetic energy, mass damping work, the work performed at viscous boundaries, and the strain energy in excavated material: (2)Wr=Uk+Wk+Wv+Um where: Uk= current value of kinetic energy in the system; ...
Calculation of the total atomic binding energy with recently proposed kinetic-, exchange-, and correlation-energy functionalsRESOURCE MANAGEMENTUNCERTAINTYCATCH AND EFFORT DATAThe functionals adopted in the present work are those of DePristo and Kress [Phys. Rev. A35, 438 (1987)] for the kinetic ...
Here we calculate and analyze five-dimensional potential-energy landscapes based on grids of several million deformation points. We find that observed fission features such as different energy thresholds for symmetric and asymmetric fission and fission-fragment mass and kinetic-energy distributions are ...
Performance of Recently Developed Kinetic Energy Density Functionals for the Calculation of Hydrogen Binding Strengths and Hydrogen2bonded Structures. Theor Chem Acc ,2000 ,104 (6) :439～444Rabuck, A. D.; Scuseria, G. E. Performance of recently developed kinetic energy density functionals for ...
Nevertheless, the activation energy at a high power level was still considerably less than conventional heating which was 66.16 kJ/mol. Large sensitivities of kinetic parameters listed in Table 4 may also be attributable to the presence of impurities or the particle size of feedstocks, both of ...
Learn the definition of Calculation and browse a collection of 1000 enlightening community discussions around the topic.