Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis-Reference-Cited by-同舟云学术

Blind Search for Complex Chemical Pathways Using Harmonic Linear Discriminant Analysis

Published:2019-07-17 Issue:8 Volume:15 Page:4507-4515
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Rizzi Valerio¹²^ORCID,Mendels Dan¹²³^ORCID,Sicilia Emilia⁴^ORCID,Parrinello Michele¹²⁵

Affiliation:

1. Department of Chemistry and Applied Biosciences, ETH Zurich, c/o USI Campus, Via Giuseppe Buffi 13, CH-6900, Lugano, Ticino, Switzerland

2. Facoltà di Informatica, Istituto di Scienze Computazionali, Università della Svizzera italiana (USI), Via Giuseppe Buffi 13, CH-6900, Lugano, Ticino, Switzerland

3. Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States

4. Dipartimento di Chimica e Tecnologie Chimiche, Università della Calabria, 87036 Rende CS, Italy

5. Istituto Italiano di Tecnologia (IIT), Via Morego, 30, 16163 Genova GE, Italy

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

European Commission

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00358

Reference55 articles.

1. Finding Reaction Pathways of Type A + B → X: Toward Systematic Prediction of Reaction Mechanisms

2. Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods

3. Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios

4. Hydrothermal Decomposition of Amino Acids and Origins of Prebiotic Meteoritic Organic Compounds

5. Advances in enhanced sampling along adaptive paths of collective variables

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