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
7 results
Filters applied: . Clear all
Results are displayed in a computed author sort order.
The Results By Year timeline is not available.
Page 1
Establishing Cost-Effective Computational Models for the Prediction of Lanthanoid Binding in [Ln(NO3)]2+ (with Ln = La to Lu).
ACS Omega. 2019 Jan 16;4(1):1375-1385. doi: 10.1021/acsomega.8b02403. eCollection 2019 Jan 31.
ACS Omega. 2019.
PMID: 31459405
Free PMC article.
Ab initio approaches for the determination of heavy element energetics: Ionization energies of trivalent lanthanides (Ln = La-Eu).
Peterson C, Penchoff DA, Wilson AK.
Peterson C, et al. Among authors: penchoff da.
J Chem Phys. 2015 Nov 21;143(19):194109. doi: 10.1063/1.4935809.
J Chem Phys. 2015.
PMID: 26590529
Item in Clipboard
Structural Analysis of the Complexation of Uranyl, Neptunyl, Plutonyl, and Americyl with Cyclic Imide Dioximes.
Penchoff DA, Peterson CC, Camden JP, Bradshaw JA, Auxier JD 2nd, Schweitzer GK, Jenkins DM, Harrison RJ, Hall HL.
Penchoff DA, et al.
ACS Omega. 2018 Oct 24;3(10):13984-13993. doi: 10.1021/acsomega.8b02068. eCollection 2018 Oct 31.
ACS Omega. 2018.
PMID: 31458094
Free PMC article.
Item in Clipboard
Structural Characteristics, Population Analysis, and Binding Energies of [An(NO3)]2+ (with An = Ac to Lr).
Penchoff DA, Peterson CC, Quint MS, Auxier JD 2nd, Schweitzer GK, Jenkins DM, Harrison RJ, Hall HL.
Penchoff DA, et al.
ACS Omega. 2018 Oct 25;3(10):14127-14143. doi: 10.1021/acsomega.8b01800. eCollection 2018 Oct 31.
ACS Omega. 2018.
PMID: 31458106
Free PMC article.
Item in Clipboard
Actinide tetra-N-heterocyclic carbene 'sandwiches'.
DeJesus JF, Kerr RWF, Penchoff DA, Carroll XB, Peterson CC, Arnold PL, Jenkins DM.
DeJesus JF, et al. Among authors: penchoff da.
Chem Sci. 2021 May 10;12(22):7882-7887. doi: 10.1039/d1sc01007g.
Chem Sci. 2021.
PMID: 34168841
Free PMC article.
Item in Clipboard
Direct Determination of Optimal Real-Space Orbitals for Correlated Electronic Structure of Molecules.
Valeev EF, Harrison RJ, Holmes AA, Peterson CC, Penchoff DA.
Valeev EF, et al. Among authors: penchoff da.
J Chem Theory Comput. 2023 Oct 24;19(20):7230-7241. doi: 10.1021/acs.jctc.3c00732. Epub 2023 Oct 4.
J Chem Theory Comput. 2023.
PMID: 37791808
Item in Clipboard
Economical quasi-Newton unitary optimization of electronic orbitals.
Slattery SA, Surjuse KA, Peterson CC, Penchoff DA, Valeev EF.
Slattery SA, et al. Among authors: penchoff da.
Phys Chem Chem Phys. 2024 Feb 22;26(8):6557-6573. doi: 10.1039/d3cp05557d.
Phys Chem Chem Phys. 2024.
PMID: 38329140
Item in Clipboard
Cite
Cite