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[ASAP] Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C3
(Journal of Physical Chemistry A)
26 june 2019 00:00:33
[ASAP] Accurate CHIPR Potential Energy Surface for the Lowest Triplet State of C3
(Journal of Physical Chemistry A)
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The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.9b03194
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[ASAP] Density Functional Calculations of Electron Paramagnetic Resonance g- and Hyperfine-Coupling Tensors Using the Exact Two-Component (X2C) Transformation and Efficient Approximations to the Two-Electron Spin-Orbit Terms
(Journal of Physical Chemistry A)
[ASAP] Methane to Methanol Conversion Facilitated by Transition-Metal Methyl and Methoxy Units: The Cases of FeCH3+ and FeOCH3+
(Journal of Physical Chemistry A)
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