Search Page
Save citations to file
Email citations
Send citations to clipboard
Add to Collections
Add to My Bibliography
Create a file for external citation management software
Your saved search
Your RSS Feed
Search Results
3 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
The Energetic Origins of Pi-Pi Contacts in Proteins.
J Am Chem Soc. 2023 Nov 2;145(45):24836-51. doi: 10.1021/jacs.3c09198. Online ahead of print.
J Am Chem Soc. 2023.
PMID: 37917924
Free PMC article.
Constrained iterative Hirshfeld charges: A variational approach.
Pujal L, van Zyl M, Vöhringer-Martinez E, Verstraelen T, Bultinck P, Ayers PW, Heidar-Zadeh F.
Pujal L, et al.
J Chem Phys. 2022 May 21;156(19):194109. doi: 10.1063/5.0089466.
J Chem Phys. 2022.
PMID: 35597660
Item in Clipboard
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files.
Verstraelen T, Adams W, Pujal L, Tehrani A, Kelly BD, Macaya L, Meng F, Richer M, Hernández-Esparza R, Yang XD, Chan M, Kim TD, Cools-Ceuppens M, Chuiko V, Vöhringer-Martinez E, Ayers PW, Heidar-Zadeh F.
Verstraelen T, et al. Among authors: pujal l.
J Comput Chem. 2021 Mar 5;42(6):458-464. doi: 10.1002/jcc.26468. Epub 2020 Dec 27.
J Comput Chem. 2021.
PMID: 33368350
Item in Clipboard
Cite
Cite