Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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2017 nî lūn-bûn

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2017年の論文

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年学术文章

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2017年學術文章

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2017年學術文章

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Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark.

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P1476

Polymer Segments at the Folding Limit: Raman Scattering for the Diglyme Benchmark

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P2093

Sebastian Bocklitz

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P2860

First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications.

Development of an AMBER-compatible transferable force field for poly(ethylene glycol) ethers (glymes).

Dispersion-Corrected Mean-Field Electronic Structure Methods.

Benchmarking Quantum Chemical Methods: Are We Heading in the Right Direction?

Consistent structures and interactions by density functional theory with small atomic orbital basis sets.

Structural and vibrational properties of diglyme and longer glymes.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+).

Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase.

Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT.

P304

3570-3575

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P31

scholarly article

P356

10.1002/CPHC.201701169

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P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

Martin Suhm

Sebastian Bocklitz

P577

2017-11-15T00:00:00Z

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P698

29080276

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