Login
Remember
Register
Science Q&A Sarvan.Net
All Activity
Q&A
Questions
Hot!
Unanswered
Tags
Categories
Users
Ask a Question
About Us
XML Sitemap
Terms of Service
Ask a Question
What is the dipole moment of a water molecule according to ab initio calculations?
0
votes
28
views
asked
Feb 19
in
Computational Chemistry
by
ElviaM111599
(
1.4k
points)
What is the dipole moment of a water molecule according to ab initio calculations?
Your comment on this question:
Your name to display (optional):
Email me at this address if a comment is added after mine:
Email me if a comment is added after mine
Privacy: Your email address will only be used for sending these notifications.
Your answer
Your name to display (optional):
Email me at this address if my answer is selected or commented on:
Email me if my answer is selected or commented on
Privacy: Your email address will only be used for sending these notifications.
1
Answer
0
votes
answered
Feb 19
by
OnitaLoftus1
(
2.3k
points)
The dipole moment of a water molecule according to ab initio calculations is approximately 1.85 Debye. This value may vary slightly depending on the level of theory and basis set used in the calculations.
Your comment on this answer:
Your name to display (optional):
Email me at this address if a comment is added after mine:
Email me if a comment is added after mine
Privacy: Your email address will only be used for sending these notifications.
Related questions
0
votes
1
answer
30
views
What is the dipole moment of a water molecule according to ab initio calculations and how does it compare to the experimental value?
asked
Feb 19
in
Computational Chemistry
by
KeithAnthon1
(
1.9k
points)
0
votes
1
answer
104
views
What is the dipole moment of a water molecule according to ab initio calculations, and how does it compare to the experimentally measured dipole moment?
asked
Jan 30
in
Computational Chemistry
by
YOKIva496594
(
2.6k
points)
0
votes
1
answer
30
views
What is the dipole moment of water molecule according to ab initio calculations, and how does it compare to the experimental value?
asked
Feb 19
in
Computational Chemistry
by
SenaidaWhitf
(
2.4k
points)
0
votes
1
answer
34
views
What is the dipole moment of the water molecule, and how does it change when a fluoride ion replaces one of the hydrogen atoms? Use ab initio calculations to determine the dipole moments of both molecules and compare the results.
asked
Feb 19
in
Computational Chemistry
by
LorenzoWooll
(
1.7k
points)
0
votes
1
answer
100
views
What is the dipole moment (in Debye) of water molecule as predicted by ab initio calculations using the Hartree-Fock method with a 6-31++G(d,p) basis set?
asked
Jan 31
in
Computational Chemistry
by
AOVFlorrie80
(
1.7k
points)
37.4k
questions
37.2k
answers
2
comments
14.7k
users
Categories
All categories
Science
(12.0k)
Psychology
(10.5k)
Chemistry
(14.9k)
Organic Chemistry
(663)
Inorganic Chemistry
(568)
Physical Chemistry
(613)
Analytical Chemistry
(657)
BioChemistry
(719)
Polymer Chemistry
(720)
Medicinal Chemistry
(680)
Environmental Chemistry
(684)
ElectroChemistry
(379)
Computational Chemistry
(681)
Materials Chemistry
(641)
Surface Chemistry
(704)
Coordination Chemistry
(632)
Quantum Chemistry
(684)
ThermoChemistry
(573)
PhotoChemistry
(731)
Chemical kinetics
(639)
Chemical thermodynamics
(560)
Chemical equilibrium
(318)
Chemical bonding
(656)
Chemical reactions
(412)
Chemical synthesis
(532)
Chemical engineering
(614)
Chemical education
(836)
Welcome to Sarvan Science Q&A, where you can ask questions and receive answers from other members of the community.
...