Wallingford Public Library

Recent papers from Wallingford Public Library

1. Measurement of Functional Residual Capacity of the Lung by Partial CO ₂ Rebreathing Method During Acute Lung Injury in AnimalsRespiratory Care · 2007
2. Abstract 4348778: Natural History and Outcomes of Massive Left Ventricular Hypertrophy in Childhood Hypertrophic CardiomyopathyCirculation · 2025
3. Generalized Internal Coordinates for Creative Exploration of Interatomic GeometriesJournal of Chemical Theory and Computation · 2025
4. Constrained Nuclear-Electronic Orbital Transition State Theory Using Energy Surfaces with Nuclear Quantum EffectsJournal of Chemical Theory and Computation · 2025
5. Computational efficiency meets spectroscopic accuracy: an unsupervised workflow for equilibrium geometries and vibrational effects in gas-phase prebiotic moleculesPhysical Chemistry Chemical Physics · 2025
6. Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?Journal of the American Chemical Society · 2024
7. M11pz: A Nonlocal Meta Functional with Zero Hartree–Fock Exchange and with Broad Accuracy for Chemical Energies and StructuresJournal of Chemical Theory and Computation · 2023
8. Barrier Heights for Diels–Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large MoleculesThe Journal of Physical Chemistry Letters · 2023
9. Standard operating procedure for post-operation component disassembly and observation of benchtop water electrolyzer testingFrontiers in Energy Research · 2022
10. A Bond-Energy/Bond-Order and Populations RelationshipJournal of Chemical Theory and Computation · 2022
11. Material hardship is associated with posttraumatic stress disorder symptoms among low‐income Black womenJournal of Traumatic Stress · 2021
12. Assessing challenging intra‐ and inter‐molecular charge‐transfer excitations energies with double‐hybrid density functionalsJournal of Computational Chemistry · 2021
13. Dynamics of Bound States of Dihydrogen at Cu(I) and Cu(II) Species Coordinated near One and Two Zeolite Framework Aluminium Atoms: A Combined Sorption, INS, IR and DFT Study2021
14. Dynamics of Bound States of Dihydrogen at Cu(I) and Cu(II) Species Coordinated near One and Two Zeolite Framework Aluminium Atoms: A Combined Sorption, INS, IR and DFT Study2021
15. M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse DatabasesThe Journal of Physical Chemistry Letters · 2020
16. Stability Series for the Complexation of Six Key Siderophore Functional Groups with Uranyl Using Density Functional TheoryThe Journal of Physical Chemistry A · 2020
17. Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited statesJournal of Computational Chemistry · 2020
18. M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical ApplicationsJournal of Chemical Theory and Computation · 2019
19. Computational Tools for Calculating log ? Values of Geochemically Relevant Uranium Organometallic ComplexesThe Journal of Physical Chemistry A · 2018
20. Origins of halogen effects in bioorthogonal sydnone cycloadditionsChemical Communications · 2018