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Thermodiffusion of Chained Molecules: From Oligomers to the High Polymer Limit. [PDF]
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GW Approximation Coupled with Classical Fluctuating Charges and Dipoles. [PDF]
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A Complete Active Space Self-Consistent Field Approach for Molecules in QED Environments. [PDF]
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DEGAUSS: A Novel Softcore Force Field Using Double Exponential van der Waals and Gaussian Charge for Molecular Dynamics Simulations I: Theory and Validation. [PDF]
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Quantum phase constraints as the origin of zero-field splitting: the case of [Ni(Me<sub>6</sub>tren)Cl](ClO<sub>4</sub>). [PDF]
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Periodic GFN1-xTB Tight Binding: A Generalized Ewald Partitioning Scheme for the Klopman-Ohno Function. [PDF]
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Competing Self-Trapped Exciton States and Multiple Emission Pathways in BiVO<sub>4</sub>. [PDF]
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Approximate Hamiltonians from a Linear Vibronic Coupling Model for Solution-Phase Spin Dynamics. [PDF]
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