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?
While sitting in physics class one day, you begin to ponder the workings of the analog clock on the classroom wall. You notice as the hands sweep in a continuous motion that there
Q. A balanced delta-connected load has a per-phase impedance of 45 60° . It is connected to a three-phase, 208-V, 60-Hz supply by a three- phase feeder that has a per-phase impeda
Q. A person, while driving a car in a cyclone and waiting at an intersection, hears a thumping sound when a power line falls across the car and makes contact with the chassis. The
A 10-kHz tone is used to frequency modulate a carrier; the peak deviation is 75 kHz. Use Carson''s rule to estimate the bandwidth.
Q. A practical current source is represented by an ideal current source of 200 mA along with a shunt internal source resistance of 12 k. Determine the percentage drop in load curr
Explain the Tap Changing Transformers? This is the most popular form of voltage control at all voltage levels. It is based on changing the turns ratio of the transformer, hence
the plot of amper circuital law by using matlap?
A microstrip antenna system operating at 915MHz must be designed using Rogers RO3010 substrate with the thickness of 0.635mm.
Bi Directional Buffer 74LS245 This types of bi directional buffer is required for data bus as it has to function as bi directional bus. The logic diagram of such buffer i
Example of binary subtraction of Negative number Case 2. Negative number is more than the positive number ( i e, answer is negative) Example : Subtract 92 10 ( 101
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