Hunting for hydrogen: random structure searching and prediction of NMR parameters of hydrous wadsleyite
出版年份 2016 全文链接
标题
Hunting for hydrogen: random structure searching and prediction of NMR parameters of hydrous wadsleyite
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 15, Pages 10173-10181
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-03-21
DOI
10.1039/c6cp01529h
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- New Methods and Applications in Solid-State NMR Spectroscopy of Quadrupolar Nuclei
- (2014) Sharon E. Ashbrook et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Exploiting Periodic First-Principles Calculations in NMR Spectroscopy of Disordered Solids
- (2013) Sharon E. Ashbrook et al. ACCOUNTS OF CHEMICAL RESEARCH
- Infrared signatures of OH-defects in wadsleyite: A first-principles study
- (2013) M. Blanchard et al. AMERICAN MINERALOGIST
- Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2
- (2013) Valerie R. Seymour et al. CRYSTENGCOMM
- Thermodynamic properties of anhydrous and hydrous wadsleyite, β−Mg2SiO4
- (2013) Sandro Jahn et al. HIGH PRESSURE RESEARCH
- Lithiation of silicon via lithium Zintl-defect complexes from first principles
- (2013) Andrew J. Morris et al. PHYSICAL REVIEW B
- Water in the Earth's mantle: a solid-state NMR study of hydrous wadsleyite
- (2013) John M. Griffin et al. Chemical Science
- First-Principles Calculation of NMR Parameters Using the Gauge Including Projector Augmented Wave Method: A Chemist’s Point of View
- (2012) Christian Bonhomme et al. CHEMICAL REVIEWS
- Elucidation of the Al/Si Ordering in Gehlenite Ca2Al2SiO7 by Combined 29Si and 27Al NMR Spectroscopy/Quantum Chemical Calculations
- (2012) Pierre Florian et al. CHEMISTRY OF MATERIALS
- Thermal phase transformations in LaGaO3 and LaAlO3 perovskites: An experimental and computational solid-state NMR study
- (2012) Frédéric Blanc et al. SOLID STATE NUCLEAR MAGNETIC RESONANCE
- Defects in Doped LaGaO3Anionic Conductors: Linking NMR Spectral Features, Local Environments, and Defect Thermodynamics
- (2011) Frédéric Blanc et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Energetics of hydrogen/lithium complexes in silicon analyzed using the Maxwell construction
- (2011) Andrew J. Morris et al. PHYSICAL REVIEW B
- Investigation of hydrogen sites of wadsleyite: A neutron diffraction study
- (2011) Asami Sano-Furukawa et al. PHYSICS OF THE EARTH AND PLANETARY INTERIORS
- The PAW/GIPAW approach for computing NMR parameters: A new dimension added to NMR study of solids
- (2011) Thibault Charpentier SOLID STATE NUCLEAR MAGNETIC RESONANCE
- Crystal structure of hydrous wadsleyite with 2.8% H2O and compressibility to 60 GPa
- (2010) Y. Ye et al. AMERICAN MINERALOGIST
- Location and quantification of hydroxyl in wadsleyite: New insights
- (2010) F. Deon et al. AMERICAN MINERALOGIST
- High-Resolution19F MAS NMR Spectroscopy: Structural Disorder and UnusualJCouplings in a Fluorinated Hydroxy-Silicate
- (2010) John M. Griffin et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- OHO Hydrogen Bond Geometries and NMR Chemical Shifts: From Equilibrium Structures to Geometric H/D Isotope Effects, with Applications for Water, Protonated Water, and Compressed Ice
- (2009) Hans-Heinrich Limbach et al. ISRAEL JOURNAL OF CHEMISTRY
- First principles investigation of the structural and elastic properties of hydrous wadsleyite under pressure
- (2009) Jun Tsuchiya et al. JOURNAL OF GEOPHYSICAL RESEARCH
- Solid-State 17O NMR Spectroscopy of Hydrous Magnesium Silicates: Evidence for Proton Dynamics
- (2009) John M. Griffin et al. Journal of Physical Chemistry C
- Cation Disorder in Pyrochlore Ceramics: 89Y MAS NMR and First-Principles Calculations
- (2009) Simon W. Reader et al. Journal of Physical Chemistry C
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now