DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

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A synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principles.

P2860

Q50015831-02926375-A41F-4493-A597-E0F16BC4EE9B Q52672995-286A40F6-AF8C-4C6D-B193-91C1D8207B72

P2860

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

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http://www.wikidata.org/entity/Q38668089

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2017 nî lūn-bûn

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2017年の論文

@ja

2017年論文

@yue

2017年論文

@zh-hant

2017年論文

@zh-hk

2017年論文

@zh-mo

2017年論文

@zh-tw

2017年论文

@wuu

2017年论文

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2017年论文

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name

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

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type

Item

label

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

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prefLabel

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

@en

P1476

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

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P2093

Christian Ruzié

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

Elisabetta Venuti

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

Raffaele Guido Della Valle

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

Roland Resel

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

Yves H Geerts

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

P2860

Generalized Gradient Approximation Made Simple

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Projector augmented-wave method

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

The Cambridge Structural Database

Imaging molecular crystal polymorphs and their polycrystalline microstructures in situ by ultralow-frequency Raman spectroscopy.

Many-body dispersion corrections for periodic systems: an efficient reciprocal space implementation.

Reducing dynamic disorder in small-molecule organic semiconductors by suppressing large-amplitude thermal motions.

Polymorph Discrimination using Low Wavenumber Raman Spectroscopy.

Role of molecular order and solid-state structure in organic field-effect transistors.

P304

3690-3695

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

P31

scholarly article

P356

10.1021/ACS.JPCLETT.7B01634

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

P433

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

P478

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

P50

O. Natalia Bedoya-Martínez

Benedikt Schrode

P577

2017-07-21T00:00:00Z

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P698

28731723

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P932

5545759

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DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

about

P2860

P2860

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932