Free Energy Calculations and Conformational Analysis of Dibenzo-30-crown-10 with Sm<sup>2+</sup>, Eu<sup>2+</sup>, and Three Halide Salts in THF Using the AMOEBA Force Field.

Arabzadeh, Hesam; Sperling, Joseph M; Acevedo, Orlando; Albrecht-Schönzart, Thomas E

Free Energy Calculations and Conformational Analysis of Dibenzo-30-crown-10 with Sm²⁺, Eu²⁺, and Three Halide Salts in THF Using the AMOEBA Force Field.

Arabzadeh, Hesam; Sperling, Joseph M; Acevedo, Orlando; Albrecht-Schönzart, Thomas E.

Afiliación

Arabzadeh H; Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, United States.
Sperling JM; Department of Chemistry and Biochemistry, Florida State University, Tallahassee, Florida 32306, United States.
Acevedo O; Department of Chemistry, University of Miami, Coral Gables, Florida 33146, United States.
Albrecht-Schönzart TE; Department of Chemistry and Nuclear Science & Engineering Center, Colorado School of Mines, Golden, Colorado 80401, United States.

J Phys Chem B ; 127(25): 5676-5683, 2023 Jun 29.

Article en En | MEDLINE | ID: mdl-37311109

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem B Asunto de la revista: QUIMICA Año: 2023 Tipo del documento: Article País de afiliación: Estados Unidos

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