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• abstract
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Title

1. Local Zn–O Coordination as a Descriptor of {\nP} NMR Chemical Shifts in Zinc Phosphate Glasses
2. Coordination-Dependent {\nP} NMR Chemical Shifts in ZnO–\ce{P2O5} Glasses Revealed by Machine-Learning Molecular Dynamics and GIPAW Calculations

abstract

Authors

• Liu Wei <25wd2404@student.gs.chiba-u.jp>
• Takahiro Ohkubo <ohkubo.takahiro@faculty.chiba-u.jp>

keywords

• Zinc phosphate glass
• Solid-state NMR
• 31P Chemical shift
• Machine-learning molecular dynamics
• GIPAW calculations
• glass structure
• Zn coordination environment

Reviewrs

• 増野
• Jincheng Du <Jincheng.Du@unt.edu>
• Hirokazu Masai <hirokazu.masai@aist.go.jp>
• Sabyasachi Sen <sbsen@ucdavis.edu>
• Takebe Hiromichi <takebe.hiromichi.mk@ehime-u.ac.jp>
• Richard Brow <brow@mst.edu)

Funder

• Japan Society for the Promotion of Science (JSPS) JSPS KAKENHI

  • 24K01597
  • 23H04096

• HPCI

  • hp250103
  • hp260055