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Development of Analytic Energy Gradients for the Driven Similarity Renormalization Group Second-Order Perturbation Theory
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Leveling Up DNA Hybridization Affinity and Specificity Using Heteromultivalent DNA-Functionalized Particles
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Mechanism of Molecular Triplet Excited State Generation in Quantum Dot-Molecule Complex
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Spectroscopic Characterization of the Low-Lying States of MX0/+ (M = Ca, Nd, Sm, Th; X = N,O) Molecules
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Mechanism of charge separation and recombination in one-dimensional CdS-Pt nanorod heterostructures for solar energy conversion
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Excited State: CaO, Cs, Rb
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Exploring Methods of Extraction of Cluster Free Energy from Small-N Molecular Dynamics Simulations
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A blessing and a curse of dimensionality: using quantum computers to simulate strongly correlated fermionic systems.
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The Bioinorganic Energy Conversion Puzzle: Pieces from a [NiFe]-Hydrogenase Ligand Scaffold
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Investigating Protein and Peptide Mediated Membrane Bending Mechanisms
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