Toward Molecular Catalysts by Computer-Reference-Cited by-同舟云学术

Toward Molecular Catalysts by Computer

Published:2015-01-09 Issue:2 Volume:48 Page:248-255
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Raugei Simone¹,DuBois Daniel L.¹,Rousseau Roger¹,Chen Shentan¹,Ho Ming-Hsun¹,Bullock R. Morris¹,Dupuis Michel¹

Affiliation:

1. Center for Molecular Electrocatalysis, Physical Sciences Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ar500342g

Reference41 articles.

1. Development of Molecular Electrocatalysts for Energy Storage

2. Gaussian‐1 theory: A general procedure for prediction of molecular energies

3. Chemical accuracy in ab initio thermochemistry and spectroscopy: current strategies and future challenges

4. Uncertainty quantification in thermochemistry, benchmarking electronic structure computations, and Active Thermochemical Tables

5. Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations

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