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?
Define Johnson Counters to Produce a Time Delay? The "serial in-serial out" shift register can be used as a time delay device. The amount of delay able to be controlled by:
under three phase 4 wire load unbalanced distribution network how to calacualte the voltage across the load when no load resistance is specified, however the real and reactive powe
please give me the ckt for wein bridge oscillator with 5KHz frequency using transister (with exact values of resistor and capacitor).
please give the source coding of fast decoupled method
tension and sag problems
Differentiate between Motorola processors and INTEL processors. Comparison between Motorola processors and INTEL processors: AMD/Intel processors are actually about similar t
a. Explain the following terms: (6) (i) Persistence of vision (ii) Flicker in motion pictures b. What is meant by blanking? What is the need of blanking pulses? Compare th
Q. The flux in a magnetic core is alternating sinusoidally at a frequency of 500 Hz. The maximum flux density is 1 T. The eddy-current loss then amounts to 15W. Compute the eddy-cu
Explain Antiferromagnetism magnetic materials. Antiferromagnetism : Magnetic dipoles are aligned anti-parallel to each other. Antiferromagnetic type materials are not as famil
Explain the Parallel In - Parallel Out Shift Registers? For "parallel in - parallel out" shift registers all data bits show on the parallel outputs immediately following the si
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