Nuclear quantum and H/D isotope effects on three‐centered bonding diborane: Path integral molecular dynamics simulations-Reference-Cited by-同舟云学术

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Nuclear quantum and H/D isotope effects on three‐centered bonding diborane: Path integral molecular dynamics simulations

Published:2020-05-15 Issue:10 Volume:120 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Daengngern Rathawat¹²^ORCID,Kobayashi Osamu³,Kungwan Nawee⁴^ORCID,Ngaojampa Chanisorn⁴^ORCID,Tachikawa Masanori³⁵^ORCID

Affiliation:

1. Department of Chemistry, Faculty of ScienceKing Mongkut's Institute of Technology Ladkrabang Bangkok Thailand

2. Integrated Applied Chemistry Research Unit, Faculty of ScienceKing Mongkut's Institute of Technology Ladkrabang Bangkok Thailand

3. Graduate School of NanobioscienceYokohama City University Yokohama Japan

4. Department of Chemistry and Center of Excellence in Materials Science and TechnologyChiang Mai University Chiang Mai Thailand

5. School of Data ScienceYokohama City University Yokohama Japan

Funder

King Mongkut's Institute of Technology Ladkrabang Research Fund

Grants-in-Aid for Scientific Research

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26179

Reference48 articles.

1. Comparison of TMB and B2H6 as Precursors for Emitter Doping in High Efficiency Silicon Hetero Junction Solar Cells

2. Matrix isolation study of the mechanism of the reaction of diborane with ammonia: pyrolysis of the H3B·NH3 adduct

3. The role of theory in studies of the diborane pyrolysis sequence

4. Boron–nitrogen–hydrogen (BNH) compounds: recent developments in hydrogen storage, applications in hydrogenation and catalysis, and new syntheses

5. Reactions of Diborane with Ammonia and Ammonia Borane: Catalytic Effects for Multiple Pathways for Hydrogen Release

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Comparison of Implicit and Explicit Solvent Approaches in Ab Initio Evaluation of Thermochemistry in Solution: Application in Studying Boron Isotope Fractionation in Water;The Journal of Physical Chemistry A;2023-03-14

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