John J. Karnes
Affiliations: | Lawrence Livermore National Laboratory, Livermore, CA, United States |
Area:
Theoretical/Computational ChemistryGoogle:
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Publications
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| Karnes JJ, Benjamin I. (2021) Deconstructing the Local Intermolecular Ordering and Dynamics of Liquid Chloroform and Bromoform. The Journal of Physical Chemistry. B. 125: 3629-3637 |
| Karnes JJ, Villavicencio N, Benjamin I. (2019) Transfer of an erbium ion across the water/dodecane interface: Structure and thermodynamics via molecular dynamics simulations Chemical Physics Letters. 737: 136825 |
| Karnes JJ, Benjamin I. (2018) Miscibility at the immiscible liquid/liquid interface: A molecular dynamics study of thermodynamics and mechanism. The Journal of Chemical Physics. 148: 034707 |
| Karnes JJ, Benjamin I. (2017) SN2 Reaction Rate Enhancement by β-Cyclodextrin at the Liquid/Liquid Interface The Journal of Physical Chemistry C. 121: 19209-19217 |
| Karnes JJ, Benjamin I. (2017) Structure and Dynamics of Host/Guest Complexation at the Liquid/Liquid Interface: Implications for Inverse Phase Transfer Catalysis The Journal of Physical Chemistry C. 121: 4999-5011 |
| Karnes JJ, Benjamin I. (2017) On the local intermolecular ordering and dynamics of liquid chloroform Journal of Molecular Liquids. 248: 121-126 |
| Karnes JJ, Benjamin I. (2016) Geometric and energetic considerations of surface fluctuations during ion transfer across the water-immiscible organic liquid interface. The Journal of Chemical Physics. 145: 014701 |
| Karnes JJ, Gobrogge EA, Walker RA, et al. (2015) Unusual Structure and Dynamics at Silica/Methanol and Silica/Ethanol Interfaces-A Molecular Dynamics and Nonlinear Optical Study. The Journal of Physical Chemistry. B |
| Karnes JJ, Benjamin I. (2015) Mechanism and Dynamics of Molecular Exchange at the Silica/Binary Solvent Mixtures Interface. The Journal of Physical Chemistry. A |