Thermal properties of molecular crystals through dispersion-corrected quasi-harmonic ab initio calculations: the case of urea.
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Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to L-alanine, naphthalene and xylitol.Lattice thermal expansion and anisotropic displacements in urea, bromomalonic aldehyde, pentachloropyridine, and naphthalene.Lattice thermal expansion and anisotropic displacements in 𝜶-sulfur from diffraction experiments and first-principles theory.Powder diffraction and crystal structure prediction identify four new coumarin polymorphs.Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine.First-principles modeling of molecular crystals: structures and stabilities, temperature and pressure
P2860
Thermal properties of molecular crystals through dispersion-corrected quasi-harmonic ab initio calculations: the case of urea.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
2015年论文
@zh
2015年论文
@zh-cn
name
Thermal properties of molecula ...... alculations: the case of urea.
@en
type
label
Thermal properties of molecula ...... alculations: the case of urea.
@en
prefLabel
Thermal properties of molecula ...... alculations: the case of urea.
@en
P2860
P356
P1476
Thermal properties of molecula ...... calculations: the case of urea
@en
P2093
Jefferson Maul
P2860
P304
P356
10.1039/C5CC08982D
P407
P577
2016-01-01T00:00:00Z