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?
The subsequent voltage-source multiplying DAC is to be utilized to convert the digital data stream "11" and "01" to an analog signal. It has 2-bit inputs and hence is capable of c
I need help in Simulink model (.mdl) (discrete) for the topic “sensorless control of the pmsm using Back EMF method” with detailed explanation of the estimator (Back EMF method).
Future scope on MATLAB in India
Q. A shunt generator gives full load output of 30 kW at a terminal voltage of 200V. The armature and field resistance are 0.05? and 50? resp.. The iron and friction losses are 10
Pins and Signals As discussed earlier that 8085 microprocessor chip has 40 pins shown various pins and signals of 8085 microprocessor. All these signals can be c
Solenoids find application in a variety of electrically controlled valves. The magnetic structure shown in Figure is a simplified representation of a solenoid in which the flux in
Q. Elucidate the nature of signals produced on subscriber's loop by a pulse dialer and a touch tone dialer. Ans: DTMF is a simple two-of -eight encoding scheme where every
analysis
What are procedures? Procedures are a group of instructions stored as a separate program in memory and it is known from the main program whenever needed. The type of procedure
Q. Which are the three basic configurations of FET amplifiers? The three basic configurations of FET amplifiers are · Common source(CS)- It is most frequently used as it pro
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