Predicting solvent effects on the structure of porous organic molecules


Autoria(s): Santolini, Valentina; Tribello, Gareth A.; Jelfs, Kim E.
Data(s)

04/11/2015

Resumo

A computational approach for the prediction of the open, metastable, conformations of porous organic molecules in the presence of solvent is developed.

Formato

application/pdf

Identificador

http://pure.qub.ac.uk/portal/en/publications/predicting-solvent-effects-on-the-structure-of-porous-organic-molecules(d9dcbff9-ab08-490f-b650-2c93086c29f9).html

http://dx.doi.org/10.1039/C5CC05344G

http://pure.qub.ac.uk/ws/files/16970959/c5cc05344g.pdf

Idioma(s)

eng

Direitos

info:eu-repo/semantics/openAccess

Fonte

Santolini , V , Tribello , G A & Jelfs , K E 2015 , ' Predicting solvent effects on the structure of porous organic molecules ' Chemical Communications , vol 51 , no. 85 , pp. 15542-15545 . DOI: 10.1039/C5CC05344G

Tipo

article