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Kepp, Kasper P. (2019) Free Energies of Hydration for Metal Ions from Heats of Vaporization. The Journal of Physical Chemistry A, 123 (30). 6536-6546 doi:10.1021/acs.jpca.9b05140

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Reference TypeJournal (article/letter/editorial)
TitleFree Energies of Hydration for Metal Ions from Heats of Vaporization
JournalThe Journal of Physical Chemistry A
AuthorsKepp, Kasper P.Author
Year2019 (August)Volume123
Issue30
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.9b05140Search in ResearchGate
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Mindat Ref. ID3970151Long-form Identifiermindat:1:5:3970151:0
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Full ReferenceKepp, Kasper P. (2019) Free Energies of Hydration for Metal Ions from Heats of Vaporization. The Journal of Physical Chemistry A, 123 (30). 6536-6546 doi:10.1021/acs.jpca.9b05140
Plain TextKepp, Kasper P. (2019) Free Energies of Hydration for Metal Ions from Heats of Vaporization. The Journal of Physical Chemistry A, 123 (30). 6536-6546 doi:10.1021/acs.jpca.9b05140
In(2019, August) The Journal of Physical Chemistry A Vol. 123 (30) American Chemical Society (ACS)

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Kepp, Kasper P. (2018) Thermochemically Consistent Free Energies of Hydration for Di- and Trivalent Metal Ions. The Journal of Physical Chemistry A, 122 (37). 7464-7471 doi:10.1021/acs.jpca.8b06674
Moltved, Klaus A., Kepp, Kasper P. (2019) The Metal Hydride Problem of Computational Chemistry: Origins and Consequences. The Journal of Physical Chemistry A, 123 (13). 2888-2900 doi:10.1021/acs.jpca.9b02367
Kepp, Kasper P. (2017) Benchmarking Density Functionals for Chemical Bonds of Gold. The Journal of Physical Chemistry A, 121 (9). 2022-2034 doi:10.1021/acs.jpca.6b12086
Moltved, Klaus A., Kepp, Kasper P. (2019) The Chemical Bond between Transition Metals and Oxygen: Electronegativity, d-Orbital Effects, and Oxophilicity as Descriptors of Metal–Oxygen Interactions. The Journal of Physical Chemistry C, 123 (30). 18432-18444 doi:10.1021/acs.jpcc.9b04317
Mortensen, Sara R., Kepp, Kasper P. (2015) Spin Propensities of Octahedral Complexes From Density Functional Theory. The Journal of Physical Chemistry A, 119 (17). 4041-4050 doi:10.1021/acs.jpca.5b01626
Sander, Oxana, Armentrout, P. B. (2019) Hydration Energies of Iron Hydroxide Cation: A Guided Ion Beam and Theoretical Investigation. The Journal of Physical Chemistry A, 123 (8). 1675-1688 doi:10.1021/acs.jpca.8b12257
Kepp, Kasper P. (2017) Trends in Strong Chemical Bonding in C2, CN, CN–, CO, N2, NO, NO+, and O2. The Journal of Physical Chemistry A, 121 (47). 9092-9098 doi:10.1021/acs.jpca.7b08201
Siig, Oliver S., Kepp, Kasper P. (2018) Iron(II) and Iron(III) Spin Crossover: Toward an Optimal Density Functional. The Journal of Physical Chemistry A, 122 (16). 4208-4217 doi:10.1021/acs.jpca.8b02027
Mehra, Rukmankesh, Kepp, Kasper P. (2019) Contribution of substrate reorganization energies of electron transfer to laccase activity. Physical Chemistry Chemical Physics, 21 (28). 15805-15814 doi:10.1039/c9cp01012b
Roy, Dipankar, Kovalenko, Andriy (2019) Performance of 3D-RISM-KH in Predicting Hydration Free Energy: Effect of Solute Parameters. The Journal of Physical Chemistry A, 123 (18). 4087-4093 doi:10.1021/acs.jpca.9b01623
Nielsen, Mathias T., Moltved, Klaus A., Kepp, Kasper P. (2018) Electron Transfer of Hydrated Transition-Metal Ions and the Electronic State of Co3+(aq) Inorganic Chemistry, 57 (13) 7914-7924 doi:10.1021/acs.inorgchem.8b01011
 
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