Use a molecular-mechanics program to calculate the barrier to internal rotation in ethane.
Question:
Fantastic news! We've Found the answer you've been seeking!
Step by Step Answer:
Answer rating: 75% (8 reviews)
Spartan Student 50 which has the MMFF94s force field gives the steric energy as ...View the full answer
Answered By
GERALD KAMAU
non-plagiarism work, timely work and A++ work
4.40+
6+ Reviews
11+ Question Solved
Related Book For
Question Posted:
Students also viewed these Mechanics questions
-
A tower, packed with Montz B1-200 metal structured packing, is to be designed to absorb SO2 from air by scrubbing with water. The entering gas, at an SO2-free flow rate of 6.90 lbmollh-ft2 of bed...
-
In a Z-matrix for the Gaussian programs, letters can be used to specify some or all of the internal coordinates. For example, a Z-matrix for HOCl can be written as O1 H2 1 R1 Cl3 1 R2 2 A1 Variables:...
-
Calculate the barrier to internal rotation in ethane using AM1 and PM3. Compare the results to experiment and to the HF/6-31G** result (Prob. 15.53).
-
Bridge hands. In the game of bridge, four players are dealt hands of 13 cards each. An important statistic is the distribution of the number of cards in each suit in a hand. Which is the most likely,...
-
In 2011, Vaught Industries closed its plant in Marionsville following labor, environmental, and safety problems. The plant was built in 2005 based on an older technology to produce meat products. It...
-
1. Is Chateaus silence upon receiving the invoices binding on them under the Convention on Contracts for the International Sale of Goods (CISG)? 2. Would your answer be the same under the UCC?
-
An incompressible fluid flows outward through a blower as indicated in Fig. P5.81. The shaft torque involved, \(T_{\text {shaft }}\), is estimated with the following relationship: \[ T_{\text {shaft...
-
Discuss the basic accounting problem that arises in handling each of the following situations. (a) Assets purchased by issuance of capital stock. (b) Acquisition of plant assets by gift or donation....
-
For a "normal" $300m venture capital partnership: 1.How many portfolio companies would you expect? 2.How many of the portfolio companies do you expect to fail at a 100% loss to the VC partnership?...
-
Barrett Chemicals manufactures four chemicals, Chem-1, Chem-2, Chem-3, and Chem-4, from a joint process. The total joint costs in May were $564,000. Additional information follows: Required Barrett...
-
Use whatever molecular-mechanics program is available to you to calculate the geometries of the two conformers of HCOOH and find the energy difference between them. Omit zero-point vibrational...
-
Use a molecular-mechanics program to find the geometries of the gauche and anti conformations of butane and the energy difference between them.
-
Let a, b Rm, b 0, and set (0 = a + tb. Show that C = (R) is a smooth unbounded curve which contains a and a + b. Prove that the angle between (t1) - (0) and (t2) - (0) for any t1, t2 0 is 0 or .
-
What does the results tell you about the company? Are there any indications of fraud? As a forensic auditor, what would you do to pursue further investigation?
-
What are some examples of key organizational expenses? Why is the non-profit sector facing difficulties in paying for these expenses? Please ensure that your answers are in complete sentences and...
-
What is data redundancy? What are the problems with data redundancy in file system. How is it solved/addressed in DBMS?
-
In comparison to investing in a listed company, what information disadvantages an investor may face when investing in a startup company? Does financial and non-financial information play any role in...
-
Complete the following to record a bill received for the Mookie The Beagle Dog Hammocks ordered. Required: 1. Create Bill. a. Select ( ) New icon > Bill b. Select Vendor: Maddy's Marvels c. Select...
-
What are the boundaries of 25.6 ounces? a. 2526 ounces b. 25.5525.65 ounces c. 25.525.7 ounces d. 2039 ounces
-
Periwinkle Company is a multinational organization. Its Parts Division is located in Lavender Land, while its Assembly Division is located in North Orchid. During the current year Periwinkle Companys...
-
A force acts on a rectangular cabinet weighing 400 N, as in Figure P12.53. (a) If the cabinet slides with constant speed when F = 200 N and h = 0.400 m, find the coefficient of kinetic friction and...
-
Consider the rectangular cabinet of Problem 53, but with a force F applied horizontally at the upper edge. (a) What is the minimum force required to start to tip the cabinet? (b) What is the minimum...
-
A uniform beam of mass m is inclined at an angle θ to the horizontal. Its upper end produces a ninety degree bend in a very rough rope tied to a wall, and its lower end rests on a rough floor...
-
If the nominal interest rate is 14%, and inflation is 4%, what is the real interest rate? 22.A bond investment yielded 8%. If inflation was 3%, what real return did the bond offer? 23.The following...
-
Bierce Corporation has two manufacturing departments--Machining and Finishing. The company used the following data at the beginning of the year to calculate predetermined overhead rates: Estimated...
-
Discuss how communication channels have changed over the years due to technology.
Study smarter with the SolutionInn App