Free energy calculations and solubility in water of organic molecules: a numerical relation through molecular dynamics-Reference-Cited by-同舟云学术

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Free energy calculations and solubility in water of organic molecules: a numerical relation through molecular dynamics

Published:2023-01-06 Issue:4 Volume:49 Page:393-402
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Ramírez García Carlos¹^ORCID,Méndez-Maldonado Gloria Arlette²^ORCID,Guillermo Méndez-Bermúdez José³^ORCID,Núñez-Rojas Edgar⁴^ORCID

Affiliation:

1. Departamento de Química, Universidad Autónoma, Metropolitana-Iztapalapa, Ciudad de México, México

2. Centro Universitario de Ciencias Exactas e Ingenierías, Universidad de Guadalajara, Guadalajara, Jalisco, México

3. Centro Universitario de los Valles, Universidad de Guadalajara, Ameca, Jalisco, México

4. Departamento de Química, Conacyt-Universidad Autónoma Metropolitana-Iztapalapa, Ciudad de México, México

Funder

Conacyt

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2022.2163673

Reference46 articles.

1. Crude Oil and Refined Product Fingerprinting: Principles

2. Solubility Determination from Clear Points upon Solvent Addition

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals;The Journal of Chemical Physics;2023-11-14

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