Question

what method can be used in computational chemistry to investigate if solvation has any effects on...

what method can be used in computational chemistry to investigate if solvation has any effects on the bond angle C-O-H and bond lengths C-O and O-H. Use tert-butyl alcohol and di-tert-butyl ether as examples

Science   Chemistry   
0 0
Add a commentTranscribed image text
Next >

Homework Answers

Answer #1

Dear student,

Force-field Method can be used in computational chemistry to investigate if solution has any effects on the bond angle & bond lengths.

Force field methods are based on similar energy evaluation functional which usually contain terms representing the bond stretching, angle bonding and torsion & terms for repulsion and dispersion. Commonly used solvent such as water.

A general formula for the total energy in additive force field can be written as where the components of the covalent & non covalent contribution.

0 0
Know the answer?
Your Answer:

Post as a guest

Your Name:

What's your source?

Earn Coins

Coins can be redeemed for fabulous gifts.

Log In

Sign Up

Not the answer you're looking for?
Ask your own homework help question
Similar Questions
What can you conclude about the (C=O-C(subscript alpha 1)) bond rotation? What greek symbol is used...
What can you conclude about the (C=O-C(subscript alpha 1)) bond rotation? What greek symbol is used to represent this bond? What can you conclude about the (H-N-C(subscript alpha 2)) bond rotation? What greek symbol is used to represent this bond?
1. High-pressure liquid chromatography (HPLC) is a method used in chemistry and biochemistry to purify chemical...
1. High-pressure liquid chromatography (HPLC) is a method used in chemistry and biochemistry to purify chemical substances. The pressures used in this procedure range from around 500 kilopascals (500,000 Pa) to about 60,000 kPa (60,000,000 Pa). It is often convenient to know the pressure in torr. If an HPLC procedure is running at a pressure of 2.40×108 Pa , what is its running pressure in torr? Express the pressure numerically in torr. 2.40×108 Pa = ______ torr 2. A sample...
Acid/Base Chemistry Portland Community College Staff* Version 42-0137-00-01 Lab Report Assistant                          &n
Acid/Base Chemistry Portland Community College Staff* Version 42-0137-00-01 Lab Report Assistant                                                                                             This document is not meant to be a substitute for a formal laboratory report. The Lab Report Assistant is simply a summary of the experiment’s questions, diagrams if needed, and data tables that should be addressed in a formal lab report. The intent is to facilitate students’ writing of lab reports by providing this information in an editable file which can be sent to an instructor. Observations                                                                                                            In columns...
Please show work/formulas and financial calculator steps, if used. Answer as much as you can (The...
Please show work/formulas and financial calculator steps, if used. Answer as much as you can (The following information applies to Problems 1-4) The Collins Group, a leading producer of custom automobile accessories, has hired you to estimate the firm's weighted average cost of capital. The balance sheet and some other information are provided below. Assets Current assets                                        $ 38,000,000 Net plant, property, and equipment                    101,000,000 Total assets                                          $139,000,000 Liabilities and Equity Accounts payable                                      $ 10,000,000 Accruals                                                9,000,000 Current liabilities                                   $...
16. You digested a linear DNA fragment with a RE and the fragment has three recognition...
16. You digested a linear DNA fragment with a RE and the fragment has three recognition sites for the RE. How many fragments of DNA will be produced? A. three                B. four C. five D. six                     17. The RE HhaI cuts the recognition site 5’GCGC3’. The probability of having a cutting site for this enzyme is about one in every __________bp of genomic DNA. A. 100 B. 250                C....
#Linked Lists and Classes #C++ Hi, please use singly linked list method to do this question....
#Linked Lists and Classes #C++ Hi, please use singly linked list method to do this question. Thank you! Here’s the contents of a file called example.cpp: // example.cpp #include "LinkedList.h" #include <iostream> #include <string> using namespace std; int main() { cout << "Please enter some words (ctrl-d to stop):\n"; LinkedList lst; int count = 0; string s; while (cin >> s) { count++; lst.add(remove_non_letters(s)); } // while cout << "\n" << count << " total words read in\n"; cout <<...
QUESTION 1 ? What is the relationship between family dysfunction and schizophrenia? a. ?Research has substantiated...
QUESTION 1 ? What is the relationship between family dysfunction and schizophrenia? a. ?Research has substantiated a link between family dysfunction and schizophrenia but can't say which causes the other. b. ?Family dysfunction is a major causative factor for schizophrenia. c. ?Research has failed to substantiate a direct causal link between family dysfunction and schizophrenia. d. ?Family dysfunction plays a minor role in developing schizophrenia. 1.00000 points    QUESTION 2 ? Chuck has no life plan; he simply lives from...
The scientific method is best distinguished from earlier forms of knowledge by Accurate measurements              b. inductive...
The scientific method is best distinguished from earlier forms of knowledge by Accurate measurements              b. inductive reasoning           c. deductive reasoning d. publishing of results                 e. experimentation Which one word best describes a tentative explanation of the data? a. control        b. deduction    c. theory          d. placebo       e. hypothesis An explanation which has been widely tested, which is not found to be false, and which explains a large group of observations is called                      a. quantitative analysis           b. a theory Qualitative...
a)How is it possible to determine if CaCO3 is Cl- free after synthesis? b)How can the...
a)How is it possible to determine if CaCO3 is Cl- free after synthesis? b)How can the Cl- ions be remove from CaCO3 after synthesis? I should answer the questions from the following experiment but if you know the answer and you are sure, yo do not need to read experiment. Please answer correctly because i hav no chance to make wrong :(((( Physical and Chemical Properties of Pure Substances Objective The aim of today’s experiment is to learn handling chemicals...
1) Describe an example of each of the following that may be found of your kitchen:...
1) Describe an example of each of the following that may be found of your kitchen: Explain how your choice falls into this category, and if there is a chemical name or symbol for it, provide that as well. Provide a photo of your example with your ID card in it. a) a compound b) a heterogeneous mixture c) an element (symbol) Moving to the Caves… Lechuguilla Caves specifically. Check out this picture of crystals of gypsum left behind in...
ADVERTISEMENT
Need Online Homework Help?

Get Answers For Free
Most questions answered within 1 hours.

Ask a Question
ADVERTISEMENT