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?
What is the effect of overheating on the life of an electric insulator? An insulator is designed to withstand amount of heat. However, when an insulator is overheated so dielec
Q. Draw and explain diode clipping circuit ? A diode clipping circuit can be used to limit the voltage swing of a signal. Clipper circuits are used to clip a portion of the w
State the advantages and disadvantages of alloying steel with silicon for use as magnetic materials in transformer and electric machines. Extensive utilize, is made of iron-sil
restructuring
tgh
what is serveces of operating system?
Q A point charge Q 1 =-5 nC is located at (6, 0, 0). Compute the voltage v ba between two points a(1, 0, 0) and b(5, 0, 0). Comment on whether point a is at a higher potential wi
Types of bias circuit for Class A amplifiers: There are five common types of biasing circuits used with Class A bipolar transistor amplifiers: A. Fixed bias B. Collector
Aims More practice using data movement and control flow statements. Understand techniques to interface microprocessors with external switch-based hardware. Write P
When I read the details of how a transformer works and apply those rules to a transformer where the primary core cross-sectional area is twice that of the secondary, I come up with
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: +1-415-670-9521
Phone: +1-415-670-9521
Email: [email protected]
All rights reserved! Copyrights ©2019-2020 ExpertsMind IT Educational Pvt Ltd