Already have an account? Get multiple benefits of using own account!
Login in your account..!
Remember me
Don't have an account? Create your account in less than a minutes,
Forgot password? how can I recover my password now!
Enter right registered email to receive password!
Perform a Hartree-Fock geometry optimization calculation of butadiene using a minimal basis set. Repeat with the 6-311G(d,p) basis set, using the optimized minimal basis set geometry as the starting point.
(a) Compare the results of the two calculations with each other and any available experimental geometry data. Discuss the extent of agreement and the nature of any differences.
(b) Considering the 6-311G(d,p) calculation, state the symmetry and ground state electronic configuration of butadiene.
(c) Using Koopmans' theorem, predict the core electron binding energies. Include qualitative descriptions of the corresponding core molecular orbitals. Comment on the level of (dis)agreement between the two calculations.
(d) Considering the 6-311G(d,p) calculation, describe the four lowest energy unoccupied orbitals. Include the correct symmetry labels, energies, and qualitative descriptions.
(e) Which core-to-valence excitations involving the four MOs considered in part (d) are dipole allowed?
UJT as relaxation oscillator: The UJT relaxation oscillator is shown in fig. it consist of a UJT and a capacitor C which is charged through a variable resistance R when VBB is
Q. A six-pole, double-layer dc armature winding in 28 slots has five turns per coil. If the field flux is 0.025 Wb per pole and the speed of the rotor is 1200 r/min, find the value
Normal 0 false false false EN-IN X-NONE X-NONE
Give the layout of a modern steam power plant and illustrate it briefly. With the help of schematic diagrams illustrate the construction and basic working of closed cycle and op
DC Motor The motor which require dc supply to drive them are called DC motors DC motor consist two types of windings. a. Fields Winding b. Armature Winding
The potential drop between the terminals of a battery is equal to the battery's EMF when: a) No current is drawn from the battery b) A very large current is drawn from th
Q. A single-phase, 10-kVA, 2300:230-V, 60-Hz, two-winding distribution transformer is connected as an auto transformer to step up the voltage from 2300 V to 2530 V. (a) Draw a s
Q. A paraboloidal antenna has an aperture ef?ciency of 0.6 and a diameter D = 100λ at 6 GHz. Illumination by the feed is such that the beamwidths of the principal-plane secondary p
1. A 230/1000V 50 Hz, single phase transformer has the following test data: Open circuit test (L.V.) Primary voltage = 230V Primary current = 1.30 A Input power
Charge density I n a semiconductor
Get guaranteed satisfaction & time on delivery in every assignment order you paid with us! We ensure premium quality solution document along with free turntin report!
whatsapp: +91-977-207-8620
Phone: +91-977-207-8620
Email: [email protected]
All rights reserved! Copyrights ©2019-2020 ExpertsMind IT Educational Pvt Ltd