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The interface between ice and alcohols analyzed by atomic force microscopy
Journal of Chemical Physics
2024-07-10
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms
Journal of Chemical Physics
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Calculating Protein–Ligand Residence Times through State Predictive Information Bottleneck Based Enhanced Sampling
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Nonlinear Effects of Hydrophobic Confinement on the Electronic Structure and Dielectric Response of Water
Journal of Physical Chemistry Letters
2024-06-30
Low charge noise quantum dots with industrial CMOS manufacturing
npj Quantum Information
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Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approaches
Journal of Chemical Physics
2024-07-01
Single-Molecule Identification of the Isomers of a Lipidic Antibody Activator
Journal of Physical Chemistry Letters
2024-06-30
The Peptide Bond: Resonance Increases Bond Order and Complicates Fragmentation
ChemPhysChem
2024-06-29
Protein Retrieval via Integrative Molecular Ensembles (PRIME) through Extended Similarity Indices
Journal of Chemical Theory and Computation
2024-07-13
Evaluation of Point Group Symmetry in Lanthanide(III) Complexes: A New Implementation of a Continuous Symmetry Operation Measure with Autonomous Assig
Journal of Physical Chemistry A
2024-06-28
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