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
Recent questions and answers in Quantum Chemistry
0
votes
1
answer
20
views
How does the change in the oxidation state of a molecule affect its electronic structure and the rate of electron transfer reactions?
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
24
views
How does the change in the oxidation state of a molecule affect its electron transfer processes and redox reactions, and what quantum mechanical principles can be used to predict and understand these changes?
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
27
views
How does the change in the oxidation state of a molecule affect its electron transfer processes and reaction kinetics in redox reactions?
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
34
views
How does the change in temperature affect the energy transfer processes in a molecule, and what is the relationship between temperature and the rate of molecular dynamics?
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
28
views
How does the change in temperature affect the rate of electron transfer in a redox reaction between iron and copper ions in an aqueous solution, according to the principles of quantum chemistry?
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
27
views
How does the change in ligands affect the electronic and magnetic properties of transition metal complexes, and what is the theoretical basis for predicting these changes using quantum chemistry methods?
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
22
views
How does the change in energy of an electron during a redox reaction impact the overall reaction rate? Provide specific examples.
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
27
views
How does the change in the electronic and optical properties of perovskite materials affect the efficiency of solar cells made from these materials?
answered
13 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
17
views
How does the calculation of the vertical excitation energies and oscillator strengths of a molecule change when different levels of theory are employed, such as time-dependent density functional theory (TDDFT) versus coupled-cluster theory?
answered
14 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
23
views
How does the calculation of molecular vibrational frequencies and infrared spectra help in identifying the presence of functional groups in organic molecules?
answered
14 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
15
views
How does the calculation of molecular orbitals provide information about the electronic structure and chemical properties of a molecule, and how can this information be used to predict its reactivity in chemical reactions?
answered
14 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
24
views
How does the calculation of excited electronic states enable the prediction of optical properties such as absorption and emission spectra in a particular chemical compound?
answered
14 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
27
views
How does the calculation of electronic excited states and optical properties using quantum chemistry methods aid in the development of new materials with enhanced optical properties, such as organic light-emitting diodes (OLEDs)?
answered
14 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
28
views
How does the calculation of electronic excited states and optical properties of a molecule depend on the choice of the computational method and basis set used in quantum chemistry calculations?
answered
14 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
16
views
How does the bonding pattern of a molecular magnet affect its electronic and magnetic properties, and how can this information be used to predict the behavior of the magnet in different environments and applications?
answered
14 hours
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
23
views
How does the bond order of a molecule relate to its stability based on the electronic structure calculations of molecular orbitals?
answered
1 day
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
18
views
What is the bond angle between the two hydrogen atoms in a water molecule, and how does the molecular geometry of water affect its properties?
answered
1 day
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
3
views
How does the band structure of a topological material affect its electronic and magnetic properties, and what quantum chemistry methods can be used to accurately predict these properties?
answered
1 day
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
17
views
How does the number of carbon atoms affect the band gap of graphene and other 2D materials, and how can this be calculated using quantum chemistry calculations?
answered
1 day
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
0
votes
1
answer
20
views
How does the arrangement and bonding of atoms in molecular magnets affect their electronic and magnetic properties, and what methods can be used to predict these properties?
answered
1 day
ago
in
Quantum Chemistry
by
TheScientist
(
61.8k
points)
To see more, click for all the
questions in this category
.
32.2k
questions
32.1k
answers
2
comments
6.0k
users
Categories
All categories
Science
(12.0k)
Psychology
(10.5k)
Chemistry
(9.7k)
Organic Chemistry
(444)
Inorganic Chemistry
(370)
Physical Chemistry
(329)
Analytical Chemistry
(636)
BioChemistry
(488)
Polymer Chemistry
(535)
Medicinal Chemistry
(569)
Environmental Chemistry
(495)
ElectroChemistry
(289)
Computational Chemistry
(460)
Materials Chemistry
(406)
Surface Chemistry
(325)
Coordination Chemistry
(337)
Quantum Chemistry
(336)
ThermoChemistry
(415)
PhotoChemistry
(278)
Chemical kinetics
(234)
Chemical thermodynamics
(399)
Chemical equilibrium
(236)
Chemical bonding
(390)
Chemical reactions
(326)
Chemical synthesis
(148)
Chemical engineering
(529)
Chemical education
(745)
Welcome to Sarvan Science Q&A, where you can ask questions and receive answers from other members of the community.
Recent questions and answers in Quantum Chemistry
...