Generating molecules with specific boiling points and melting points

DOI10.46793/MATCH.94-1.077AMaRDI QIDQ7013140zbMATH OpenFDO

Authors Steven A. Alexander

Publication date 13 March 2025

Published in MATCH - Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.46793/MATCH.94-1.077A

Mathematics Subject Classification ID

Chemical graph theory (05C92) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites work

• A Monte Carlo simulated annealing approach to optimization over continuous variables
• A Polynomial-Time Algorithm to Find the Shortest Cycle Basis of a Graph
• A systematic procedure for setting parameters in simulated annealing algorithms
• An improved annealing scheme for the QAP
• Cooling Schedules for Optimal Annealing
• Equation of state calculations by fast computing machines
• Generating molecules with specific properties: acyclic hydrocarbons
• scientific article; zbMATH DE number 41891 (Why is no real title available?)
• scientific article; zbMATH DE number 124504 (Why is no real title available?)
• scientific article; zbMATH DE number 1488569 (Why is no real title available?)
• Optimization by simulated annealing
• Thermodynamical approach to the travelling salesman problem: An efficient simulation algorithm

Cited in

(1)

• Finding molecules with large hyperpolarizabilities

This page was built for publication: Generating molecules with specific boiling points and melting points

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q7013140)