|
View: |
Part 1: Document Description
|
|
Citation |
|
|---|---|
|
Title: |
Computational studies with Paroxetine |
|
Identification Number: |
doi:10.7910/DVN/FMCBEV |
|
Distributor: |
Harvard Dataverse |
|
Date of Distribution: |
2017-07-29 |
|
Version: |
3 |
|
Bibliographic Citation: |
Miller, Jonathan, 2017, "Computational studies with Paroxetine", https://doi.org/10.7910/DVN/FMCBEV, Harvard Dataverse, V3 |
|
Citation |
|
|
Title: |
Computational studies with Paroxetine |
|
Identification Number: |
doi:10.7910/DVN/FMCBEV |
|
Authoring Entity: |
Miller, Jonathan |
|
Distributor: |
Harvard Dataverse |
|
Access Authority: |
Miller, Jonathan |
|
Depositor: |
Miller, Jonathan |
|
Date of Deposit: |
2017-07-29 |
|
Holdings Information: |
https://doi.org/10.7910/DVN/FMCBEV |
|
Study Scope |
|
|
Keywords: |
Chemistry, Paroxetine, Paxil, Seroxat, antidepressant, semi-empirical, PM7, Hartree-Fock, DFT, molecular modelling, 3D, geometry |
|
Abstract: |
Some molecular modelling and quantum chemistry studies with paroxetine. |
|
Methodology and Processing |
|
|
Sources Statement |
|
|
Data Access |
|
|
Notes: |
CC-BY 2.0 |
|
Other Study Description Materials |
|
|
Label: |
Abinitio.pdb |
|
Notes: |
application/vnd.palm |
|
Label: |
Abinitio.txt |
|
Notes: |
text/plain |
|
Label: |
Computational studies with Paroxetine.doc |
|
Notes: |
application/msword |
|
Label: |
Computational studies with Paroxetine.pdf |
|
Notes: |
application/pdf |
|
Label: |
energy.txt |
|
Notes: |
text/plain |
|
Label: |
incomplete.txt |
|
Notes: |
text/plain |
|
Label: |
MP2.txt |
|
Notes: |
text/plain |
|
Label: |
Paxil1.mgf |
|
Notes: |
text/plain; charset=US-ASCII |
|
Label: |
Paxil1.pdb |
|
Notes: |
application/vnd.palm |
|
Label: |
Paxil1.txt |
|
Notes: |
text/plain |
|
Label: |
Paxil1a.mgf |
|
Notes: |
text/plain; charset=US-ASCII |
|
Label: |
Paxil1a.pdb |
|
Notes: |
application/vnd.palm |
|
Label: |
Paxil1a.txt |
|
Notes: |
text/plain |
|
Label: |
Paxil2.pdb |
|
Notes: |
application/vnd.palm |
|
Label: |
Paxil2.txt |
|
Notes: |
text/plain |
|
Label: |
Paxil3.pdb |
|
Notes: |
application/vnd.palm |
|
Label: |
Paxil3.txt |
|
Notes: |
text/plain |
|
Label: |
Paxil4.pdb |
|
Notes: |
application/vnd.palm |
|
Label: |
Paxil4.txt |
|
Notes: |
text/plain |