bond orbital वाक्य
उदाहरण वाक्य
मोबाइल
- One alternative to the steric hindrance explanation is based on hyperconjugation as analyzed within the Natural Bond Orbital framework.
- Molecular orbitals are orthogonal, which significantly increases feasibility and speed of computer calculations compared to nonorthogonal valence bond orbitals.
- It can also be interfaced with the VB2000 and XMVB programs and the Natural Bond Orbital ( NBO ) population analysis program.
- The p contribution " m " is estimated from ab initio quantum chemistry methods and a natural bond orbital ( NBO ) analysis.
- The hybridisation of bond orbitals is determined by Bent's rule : " Atomic s character concentrates in orbitals directed toward electropositive substituents ".
- Natural bond orbitals ( NBOs ) include the highest possible percentage of the electron density, ideally close to 2.000, providing the most accurate possible natural Lewis structure of ?.
- Weighting of the resonance structures in terms of their contribution to the overall structure can be calculated in multiple ways, using " " Ab initio " " methods derived from Valence Bond theory, or else from the Natural Bond Orbitals ( NBO ) approaches of Weinhold NBO5, or finally from empirical calculations based on the H�ckel method.
- (note, we have made use of e ^ {-T } e ^ { T } = 1, the identity operator, and we are also assuming that we are using orthogonal orbitals, though this does not necessarily have to be true, e . g ., valence bond orbitals, and in such cases the last set of equations are not necessarily equal to zero ) the latter being the equations to be solved and the former the equation for the evaluation of the energy.
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