Literature DB >> 9975485

Interatomic force constants from first principles: The case of alpha -quartz.

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Abstract

Year:  1994        PMID: 9975485     DOI: 10.1103/physrevb.50.13035

Source DB:  PubMed          Journal:  Phys Rev B Condens Matter        ISSN: 0163-1829


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  11 in total

1.  Anharmonic Lattice Dynamics in Sodium Ion Conductors.

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2.  Complete assignment of the vibrational spectra of borazine: the inorganic benzene.

Authors:  Stewart F Parker
Journal:  RSC Adv       Date:  2018-06-29       Impact factor: 4.036

3.  Machine learning molecular dynamics simulations toward exploration of high-temperature properties of nuclear fuel materials: case study of thorium dioxide.

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4.  The structure and vibrational spectroscopy of cryolite, Na3AlF6.

Authors:  Stewart F Parker; Anibal J Ramirez-Cuesta; Luke L Daemen
Journal:  RSC Adv       Date:  2020-07-08       Impact factor: 4.036

5.  The effect of temperature and pressure on the crystal structure of piperidine.

Authors:  Laura E Budd; Richard M Ibberson; William G Marshall; Simon Parsons
Journal:  Chem Cent J       Date:  2015-04-12       Impact factor: 4.215

6.  Lattice Thermal Conductivity of MgSiO3 Perovskite from First Principles.

Authors:  Nahid Ghaderi; Dong-Bo Zhang; Huai Zhang; Jiawei Xian; Renata M Wentzcovitch; Tao Sun
Journal:  Sci Rep       Date:  2017-07-14       Impact factor: 4.379

7.  Computational and Spectroscopic Studies of Carbon Disulfide.

Authors:  Indri B Adilina; Fauzan Aulia; Muhammad A Fitriady; Ferensa Oemry; Robert R Widjaya; Stewart F Parker
Journal:  Molecules       Date:  2020-04-20       Impact factor: 4.411

8.  Electronic, Thermal, and Thermoelectric Transport Properties of ε-Ga2O3 from First Principles.

Authors:  Qingsong Liu; Zimin Chen; Xianzhong Zhou
Journal:  ACS Omega       Date:  2022-03-31

9.  High-pressure polymorphism in pyridine.

Authors:  Nico Giordano; Christine M Beavers; Branton J Campbell; Václav Eigner; Eugene Gregoryanz; Willliam G Marshall; Miriam Peña-Álvarez; Simon J Teat; Cara E Vennari; Simon Parsons
Journal:  IUCrJ       Date:  2020-01-01       Impact factor: 4.769

10.  Vacancy-Ordered Double Perovskite Cs2TeI6 Thin Films for Optoelectronics.

Authors:  Isabel Vázquez-Fernández; Silvia Mariotti; Oliver S Hutter; Max Birkett; Tim D Veal; Theodore D C Hobson; Laurie J Phillips; Lefteris Danos; Pabitra K Nayak; Henry J Snaith; Wei Xie; Matthew P Sherburne; Mark Asta; Ken Durose
Journal:  Chem Mater       Date:  2020-07-09       Impact factor: 9.811

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