An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference-Reference-Cited by-同舟云学术

An Algorithm Predicting the Optimal Mechanical Response of Electronic Energy Difference

Published:2023-09-05 Issue:18 Volume:19 Page:6392-6401
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jodra Alejandro¹,García-Iriepa Cristina¹²,Frutos Luis Manuel¹²^ORCID

Affiliation:

1. Departamento de Química Analítica, Química Física e Ingeniería Química, y Grupo de Reactividad y Estructura Molecular (RESMOL), Universidad de Alcalá, Alcalá de Henares, 28806 Madrid, Spain

2. Instituto de Investigación Química ‘‘Andrés M. del Río’’ (IQAR), Universidad de Alcalá, Alcalá de Henares, 28806 Madrid, Spain

Funder

Ministerio de Ciencia e Innovaci?n

Universidad de Alcal?

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00490

Reference30 articles.

1. A Review on Mechanochemistry: Approaching Advanced Energy Materials with Greener Force

2. Self-sustaining reactions induced by ball milling

3. Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics

4. Altering Product Selectivity by Mechanochemistry

5. Understanding the Mechanochemistry of Ladder-Type Cyclobutane Mechanophores by Single Molecule Force Spectroscopy

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