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RESEARCH PAPER · Physical Chemistry Chemical Physics · 2018

Non-covalent interactions of uranyl complexes: a theoretical study

James A. Platts, Robert J. Baker

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18 direct citing papers in this saved network. Explore the next layer with second-order citations.

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Non-covalent interactions of uranyl complexes: a theoretical studyOriginalStrong influence of weak hydrogen bonding on actinide–phosphonate complexation: accurate predictions from DFT followed by experimental validation10Structural and computational characterization of a bridging zwitterionic-amidoxime uranyl complex12Characterizing the degradation of [(UO2F2)(H2O)]7 4H2O under humid conditions16Structural and Computational Investigation of Halogen Bonding Effects on Spectroscopic Properties within a Series of Halogenated Uranyl Benzoates13Oxygen and peroxide bridged uranyl( vi ) dimers bearing tetradentate hybrid ligands: supramolecular self-assembly and generation pathway12Structural, spectroscopic, and computational evaluations of cation–cation and halogen bonding interactions in heterometallic uranyl hybrid materials10Bimetallic uranyl/cobalt( ii ) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases7Complexation and enantioselectivity of novel bridge-like uranyl- 2-((1Z,9Z)-9-(2-Hydroxyphenyl)-3,5,6,8-tetrahydrobenzo[h][1,4,7,10] dioxadiazacyclododecin-2-yl)-5-methoxyphenol with chiral organophosphorus pesticide enantiomers of R/S-malathions4Insights into the solution structure of the hydrated uranyl ion from neutron scattering and EXAFS experiments7Shedding X-rays on molecules through the lenses of relativistic electronic structure theory0Orbital Engineering Mediated by Cation Conjugation in Luminescent Uranyl‐Organic Hybrid Materials2Orbital Engineering Mediated by Cation Conjugation in Luminescent Uranyl‐Organic Hybrid Materials8Structural, Spectroscopic, and Computational Analysis of Halogen- and Hydrogen-Bonding Effects within a Series of Uranyl Fluorides with 4-Halopyridinium3New Polymorphic Structures of Uranyl Butyrate and Crotonate1Exploring the drug delivery capabilities of Nb2C MXene functionalized with oxygen and fluorine: A DFT study17Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry2Theoretical Insights into the O 4,5 Edge Spectra in Uranium Compounds Validated by the Experiment0Bond-Level Prediction of U-Donor Bond Lengths in Uranyl Coordination Complexes Using Machine Learning for Ligand Recognition0

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18 direct citing papers saved.

  1. Strong influence of weak hydrogen bonding on actinide–phosphonate complexation: accurate predictions from DFT followed by experimental validation

    Physical Chemistry Chemical Physics · 2019-01-01

    Aditi Chandrasekar, Tapan Kumar Ghanty, C. V. S. Brahmmananda Rao, Mahesh Sundararajan, N. Sivaraman

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  2. Structural and computational characterization of a bridging zwitterionic-amidoxime uranyl complex

    Organic Chemistry Frontiers · 2019-01-01

    Daniel A. Decato, Orion B. Berryman

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  3. Characterizing the degradation of [(UO2F2)(H2O)]7 4H2O under humid conditions

    Journal of Nuclear Materials · 2019-11-19

    Marie C. Kirkegaard, Michael W. Ambrogio, Andrew Miskowiec, Ashley E. Shields, Jennifer L. Niedziela, Tyler L. Spano, Brian B. Anderson

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  4. Structural and Computational Investigation of Halogen Bonding Effects on Spectroscopic Properties within a Series of Halogenated Uranyl Benzoates

    Crystal Growth & Design · 2019-12-19

    J. August Ridenour, Mark H. Schofield, Christopher L. Cahill

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  5. Oxygen and peroxide bridged uranyl( vi ) dimers bearing tetradentate hybrid ligands: supramolecular self-assembly and generation pathway

    Inorganic Chemistry Frontiers · 2020-01-01

    Jun Liu, Xueyu Wang, Baihua Chen, Lina Lv, Qiang Li, Xingliang Li, Songdong Ding, Yanqiu Yang

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  6. Structural, spectroscopic, and computational evaluations of cation–cation and halogen bonding interactions in heterometallic uranyl hybrid materials

    Inorganic Chemistry Frontiers · 2020-12-09

    Korey Prescott Carter, Mark Kalaj, Sapphire McNeil, Andrew Kerridge, Mark H. Schofield, J. August Ridenour, Christopher L. Cahill

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  7. Bimetallic uranyl/cobalt( ii ) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases

    Dalton Transactions · 2021-01-01

    Nicole M. Byrne, Mark H. Schofield, Aaron D. Nicholas, Christopher L. Cahill

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  8. Complexation and enantioselectivity of novel bridge-like uranyl- 2-((1Z,9Z)-9-(2-Hydroxyphenyl)-3,5,6,8-tetrahydrobenzo[h][1,4,7,10] dioxadiazacyclododecin-2-yl)-5-methoxyphenol with chiral organophosphorus pesticide enantiomers of R/S-malathions

    Environmental Technology · 2021-04-22

    Xue-Bing Tao, Rong Yang, Yang Xiao, Lifu Liao, Xilin Xiao, Changming Nie

    Read original paper ↗ ·

  9. Insights into the solution structure of the hydrated uranyl ion from neutron scattering and EXAFS experiments

    Dalton Transactions · 2022-01-01

    Samuel J. Edwards, Daniel T. Bowron, Robert J. Baker

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  10. Shedding X-rays on molecules through the lenses of relativistic electronic structure theory

    Unknown journal · 2023-10-06

    Wilken Aldair Misael

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  11. Orbital Engineering Mediated by Cation Conjugation in Luminescent Uranyl‐Organic Hybrid Materials

    Angewandte Chemie · 2023-12-23

    Adharsh Raghavan, Christopher L. Cahill

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  12. Orbital Engineering Mediated by Cation Conjugation in Luminescent Uranyl‐Organic Hybrid Materials

    Angewandte Chemie International Edition · 2023-12-23

    Adharsh Raghavan, Christopher L. Cahill

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  13. Structural, Spectroscopic, and Computational Analysis of Halogen- and Hydrogen-Bonding Effects within a Series of Uranyl Fluorides with 4-Halopyridinium

    Inorganic Chemistry · 2024-01-24

    Elizabeth A. Decoteau, Adharsh Raghavan, Christopher L. Cahill

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  14. New Polymorphic Structures of Uranyl Butyrate and Crotonate

    ChemistrySelect · 2024-05-06

    Pavel A. Pirozhkov, Anna Vladimirovna Vologzhanina, Anton V. Savchenkov

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  15. Exploring the drug delivery capabilities of Nb2C MXene functionalized with oxygen and fluorine: A DFT study

    Journal of Molecular Graphics and Modelling · 2025-01-01

    Mahmoud A.S. Sakr, Hazem Abdelsalam, Nahed H. Teleb, Mohamed A. Saad, Omar Hamed Abd-Elkader, Yushen Liu, Qinfang Zhang

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  16. Core-Excited States of Linear and Bent Uranyl Complexes: Insights from High-Energy Resolution X-ray Spectroscopy and Relativistic Quantum Chemistry

    Inorganic Chemistry · 2025-10-31

    Wilken Aldair Misael, Lucia Amidani, Juliane März, Elena Bazarkina, Kristina O. Kvashnina, Valérie Vallet, André Severo Pereira Gomes

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  17. Theoretical Insights into the O 4,5 Edge Spectra in Uranium Compounds Validated by the Experiment

    The Journal of Physical Chemistry C · 2026-04-11

    Omolola Eniodunmo, Maksim Kulichenko, Samuel M. Greer, Cassandra Gates, Patrick J. Skrodzki, Harshad Gajapathy, Maksim Y. Livshits, Matthew Carpenter, Benjamin Stein, Pamela R. Bowlan, Sergei Tretiak

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  18. Bond-Level Prediction of U-Donor Bond Lengths in Uranyl Coordination Complexes Using Machine Learning for Ligand Recognition

    Inorganic Chemistry · 2026-10-08

    Mingyu Liu, Tongtong Sun, Tianchen Wang, Chunyuan Zhan, Bo Liang, Yu Su, Jingyang Wang, Yu Zhou, Chunhui Li, Yitung Chen, Tingting Liu, Wentao Wang, Taihong Yan, Meng Zhang

    Read original paper ↗ ·
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