Exploring paths of chemical transformations in molecular and periodic systems: An approach utilizing force-Reference-Cited by-同舟云学术

Exploring paths of chemical transformations in molecular and periodic systems: An approach utilizing force

Published:2021-05-03 Issue:6 Volume:11 Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Maeda Satoshi¹²³⁴^ORCID,Harabuchi Yu¹²³^ORCID

Affiliation:

1. Institute for Chemical Reaction Design and Discovery (WPI‐ICReDD), Hokkaido University Sapporo Hokkaido Japan

2. Department of Chemistry, Faculty of Science Hokkaido University Sapporo Hokkaido Japan

3. JST, ERATO Maeda Artificial Intelligence for Chemical Reaction Design and Discovery Project Sapporo Hokkaido Japan

4. National Institute for Materials Science (NIMS) Research and Services Division of Materials Data and Integrated System (MaDIS) Tsukuba Ibaraki Japan

Funder

Core Research for Evolutional Science and Technology

Exploratory Research for Advanced Technology

Precursory Research for Embryonic Science and Technology

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1538

Reference130 articles.

1. Computational prediction of small-molecule catalysts

2. Towards the computational design of solid catalysts

3. Computational Catalysis-Past, Present, and Future

4. Computational Catalysis Using the Artificial Force Induced Reaction Method

5. Transformations of Organic Molecules over Metal Surfaces: Insights from Computational Catalysis

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