Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program

Autor: Kristoffer L. Blædel, Casper Steinmann, Anders S. Christensen, Jan H. Jensen

Publikováno v: Svendsen, C S, Blædel, K, Christensen, A S & Jensen, J H 2013, ' Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program ', P L o S One, vol. 8, no. 7, pp. e67725 . https://doi.org/10.1371/journal.pone.0067725
Svendsen, C S, Blædel, K L, Christensen, A S & Jensen, J H 2013, ' Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program ', PloS one, vol. 8, no. 7, e67725 . https://doi.org/10.1371/journal.pone.0067725
PLoS ONE, Vol 8, Iss 7, p e67725 (2013)
PLoS ONE

An interface between semi-empirical methods and the polarized continuum model (PCM) of solvation successfully implemented into GAMESS following the approach by Chudinov et al (Chem. Phys. 1992, 160, 41). The interface includes energy gradients and is

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1a7e6921caeac71243ff66dee0504a88
https://findresearcher.sdu.dk:8443/ws/files/79181471/journal.pone.0067725.pdf

The structure of DNA-DLPC-cationic gemini surfactant aggregates: a small angle synchrotron X-ray diffraction study

Autor: Mária Hanulová, Ivan Lacko, Ferdinand Devínsky, Sérgio S. Funari, Daniela Uhríková, Pavol Balgavý

Publikováno v: Biophysical chemistry 111, 197-204 (2004). doi:10.1016/j.bpc.2004.05.012

The structure of aggregates formed by interaction of DNA with unilamellar dilauroylphosphatidylcholine (DLPC) vesicles (DNA:DLPC=1:1 base/mol) in the presence of gemini surfactant butane-1,4-diyl-bis(dodecyldimethylammonium bromide) (C12GS) was inves

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::280fa93b3ba0c5e52b40a1ec92d8e74b
https://pubmed.ncbi.nlm.nih.gov/15501562