Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Filters

Logan J Augustine

Showing results (1-10 of 12) with videos related to

Pageof 2
Sort By:
Angewandte Chemie (International Ed. in English)|May 13, 2023
Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non-Covalent Interactions in a Uranyl Tetrahalide Model SystemHarindu Rajapaksha, Logan J Augustine, Sara E Mason, et al.
Journal of Chemical Theory and Computation|May 13, 2025
Data-Driven Kinetic Reaction Networks for Separation ChemistryJiyoung Lee, Logan J Augustine, Graeme Henkelman, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|September 18, 2020
Density Functional Theory and Thermodynamics Modeling of Inner-Sphere Oxyanion Adsorption on the Hydroxylated α-Al<sub>2</sub>O<sub>3</sub>(001) SurfaceAli Abbaspour Tamijani, Jennifer L Bjorklund, Logan J Augustine, et al.
Dalton Transactions (Cambridge, England : 2003)|March 7, 2022
Use of vibrational spectroscopy to identify the formation of neptunyl-neptunyl interactions: a paired density functional theory and Raman spectroscopy studyMikaela M Pyrch, Logan J Augustine, James M Williams, et al.
Journal of Colloid and Interface Science|December 10, 2021
Adsorption of small organic acids and polyphenols on hematite surfaces: Density Functional Theory + thermodynamics analysisLogan J Augustine, Ali Abbaspour Tamijani, Jennifer L Bjorklund, et al.
Inorganic Chemistry|December 20, 2022
Periodic Density Functional Theory Calculations of Uranyl Tetrachloride Compounds Engaged in Uranyl-Cation and Uranyl-Hydrogen Interactions: Electronic Structure, Vibrational, and Thermodynamic AnalysesLogan J Augustine, Harindu Rajapaksha, Mikaela Mary F Pyrch, et al.
Inorganic Chemistry|March 31, 2023
Influencing Bonding Interactions of the Neptunyl (V, VI) Cations with Electron-Donating and -Withdrawing GroupsLogan J Augustine, Joseph M Kasper, Tori Z Forbes, et al.
JACS Au|February 28, 2025
On the Importance of Configuration Search to the Predictivity of Lanthanide SelectivityThomas J Summers, Michael G Taylor, Logan J Augustine, et al.
The Journal of Physical Chemistry. A|March 6, 2025
Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic InsightsJennifer L Bjorklund, Logan J Augustine, Ali Abbaspour Tamijani, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2024
Insights into the Mechanism of Neptunium Oxidation to the Heptavalent StateDmytro V Kravchuk, Logan J Augustine, Harindu Rajapaksha, et al.
Pageof 2

Showing results (1-10 of 12) with videos related to

Sort By:
Pageof 2
Angewandte Chemie (International Ed. in English)|May 13, 2023
Guiding Principles for the Rational Design of Hybrid Materials: Use of DFT Methodology for Evaluating Non-Covalent Interactions in a Uranyl Tetrahalide Model SystemHarindu Rajapaksha, Logan J Augustine, Sara E Mason, et al.
Journal of Chemical Theory and Computation|May 13, 2025
Data-Driven Kinetic Reaction Networks for Separation ChemistryJiyoung Lee, Logan J Augustine, Graeme Henkelman, et al.
Langmuir : the ACS Journal of Surfaces and Colloids|September 18, 2020
Density Functional Theory and Thermodynamics Modeling of Inner-Sphere Oxyanion Adsorption on the Hydroxylated α-Al<sub>2</sub>O<sub>3</sub>(001) SurfaceAli Abbaspour Tamijani, Jennifer L Bjorklund, Logan J Augustine, et al.
Dalton Transactions (Cambridge, England : 2003)|March 7, 2022
Use of vibrational spectroscopy to identify the formation of neptunyl-neptunyl interactions: a paired density functional theory and Raman spectroscopy studyMikaela M Pyrch, Logan J Augustine, James M Williams, et al.
Journal of Colloid and Interface Science|December 10, 2021
Adsorption of small organic acids and polyphenols on hematite surfaces: Density Functional Theory + thermodynamics analysisLogan J Augustine, Ali Abbaspour Tamijani, Jennifer L Bjorklund, et al.
Inorganic Chemistry|December 20, 2022
Periodic Density Functional Theory Calculations of Uranyl Tetrachloride Compounds Engaged in Uranyl-Cation and Uranyl-Hydrogen Interactions: Electronic Structure, Vibrational, and Thermodynamic AnalysesLogan J Augustine, Harindu Rajapaksha, Mikaela Mary F Pyrch, et al.
Inorganic Chemistry|March 31, 2023
Influencing Bonding Interactions of the Neptunyl (V, VI) Cations with Electron-Donating and -Withdrawing GroupsLogan J Augustine, Joseph M Kasper, Tori Z Forbes, et al.
JACS Au|February 28, 2025
On the Importance of Configuration Search to the Predictivity of Lanthanide SelectivityThomas J Summers, Michael G Taylor, Logan J Augustine, et al.
The Journal of Physical Chemistry. A|March 6, 2025
Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic InsightsJennifer L Bjorklund, Logan J Augustine, Ali Abbaspour Tamijani, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2024
Insights into the Mechanism of Neptunium Oxidation to the Heptavalent StateDmytro V Kravchuk, Logan J Augustine, Harindu Rajapaksha, et al.
Pageof 2