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?
Using Nyquist theorem, determine the sampling rate for an analog signal with frequencies from 3000Hz to 86000Hz and for a signal with ahorizontal line in th
The circuit is altered by replacing the capacitor, C1 with an inductor of 150mH and left with the switch in position (a) for a long time. At time t=0, the switch is moved from posi
Q. A transmission line with a dielectric (εr = 3.5) is 100 m long. At a frequency of 10 GHz, how many wavelengths long is the line?
Q. A 25-kVA, 2300:230-V, 60-Hz, single-phase transformer has the following parameters: resistance of high-voltage winding 1.5 , resistance of low-voltage winding 0.015 , leakage
Capacitors : These are electrical condensers having a system of electrical conductors and insulators. The simplest form consists of two parallel metal plates separated by a layer
what is force?
Convolution : (i) Express this function in terms of kernel coefficients and convolve with image class.png, (x,y are coordinates of pixels) Io(x,y)=I(x+1,y)-2*I(x,y)+I(x-1,
What is the purpose of clock signal in an 8086 system? 8086 needs clock signal with 33%duty cycle from some external operations.8086 processor needs 5 MHZ clock signal
Q. An operational amplifier stage is typically represented by the circuit of Figure. For the values given, determine V out and the power supplied by the 2.5-V source.
Q. Find v o in the circuit shown in Figure by using the ideal op-amp technique.
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