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Towards exact molecular dynamics simulations with machine-learned force fields
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On the forbidden graphene’s ZO (out-of-plane optic) phononic band-analog vibrational modes in fullerenes
Published 2021-07-01Get full text
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Pyrene–nucleobase conjugates: synthesis, oligonucleotide binding and confocal bioimaging studies
Published 2017-11-01Get full text
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Exact maps in density functional theory for lattice models
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Fast and efficient synthesis of microporous polymer nanomembranes via light-induced click reaction
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“Office Hours are Kind of Weird”: Reclaiming a Resource to Foster Student-Faculty Interaction
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The Sternheimer approach to all-electron real-space density-functional perturbation theory with atomic basis set
Published 2021-01-01“…To demonstrate the capabilities of this method, we have implemented it in the all-electron Fritz Haber Institute ab initio molecular simulation package and applied it to benchmark molecules. …”
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Gram-Scale Synthesis of 1,8-Naphthyridines in Water: The Friedlander Reaction Revisited
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“Office Hours are Kind of Weird”: Reclaiming a Resource to Foster Student-Faculty Interaction
Published 2017-08-01Article -
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Synthesis, Transfer, and Gas Separation Characteristics of MOF-Templated Polymer Membranes
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Small scale rotational disorder observed in epitaxial graphene on SiC(0001)
Published 2013-01-01Get full text
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Membranolytic Mechanism of Amphiphilic Antimicrobial β-Stranded [KL]<sub>n</sub> Peptides
Published 2022-08-01Get full text
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