Theoretical Investigations and Comparisons of the Amorphous Structures of Adamantane-like Cluster Materials Utilizing Molecular Dynamics Simulations.

Schwan, Sebastian; Klee, Benjamin D; Rinn, Niklas; Schreiner, Peter R; Dehnen, Stefanie; Pilgrim, Wolf-Christian; Mollenhauer, Doreen

Schwan, Sebastian; Klee, Benjamin D; Rinn, Niklas; Schreiner, Peter R; Dehnen, Stefanie; Pilgrim, Wolf-Christian; Mollenhauer, Doreen.

Afiliação

Schwan S; Institute of Physical Chemistry, Justus Liebig University, Heinrich-Buff-Ring 17, Giessen 35392, Germany.
Klee BD; Center for Materials Research, Justus Liebig University, Heinrich-Buff-Ring 16, Giessen 35392, Germany.
Rinn N; Department of Chemistry, Philipps University Marburg, Hans-Meerwein-Str. 4, Marburg 35043, Germany.
Schreiner PR; Wigner Research Centre for Physics, Budapest 1121, Hungary.
Dehnen S; Institute of Nanotechnology, Karlsruhe Institute of Technology, Kaiserstr. 12, Karlsruhe 76131, Germany.
Pilgrim WC; Center for Materials Research, Justus Liebig University, Heinrich-Buff-Ring 16, Giessen 35392, Germany.
Mollenhauer D; Institute of Organic Chemistry, Justus Liebig University, Heinrich-Buff-Ring 17, Giessen 35392, Germany.

J Chem Theory Comput ; 2024 Aug 29.

Article em En | MEDLINE | ID: mdl-39208362

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2024 Tipo de documento: Article País de afiliação: Alemanha País de publicação: Estados Unidos

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