Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Florian Joerg"'
Publikováno v:
Frontiers in Chemistry, Vol 11 (2023)
Protex is an open-source program that enables proton exchanges of solvent molecules during molecular dynamics simulations. While conventional molecular dynamics simulations do not allow for bond breaking or formation, protex offers an easy-to-use int
Externí odkaz:
https://doaj.org/article/c72bbadc6b78496b85c6aa978f9a83df
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(16)
Proton transfer reactions can enhance conductivity in protic ionic liquids. However, several proton reactions are possible in a multicomponent system of charged and neutral species, resulting in a complex reaction network. Probabilities and equilibri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::870c4662c16eb74ccb1088d0f24c9256
https://pubmed.ncbi.nlm.nih.gov/35403653
https://pubmed.ncbi.nlm.nih.gov/35403653
Autor:
Julia Westermayr, Michael Gastegger, Dóra Vörös, Lisa Panzenboeck, Florian Joerg, Leticia González, Philipp Marquetand
Publikováno v:
Nature chemistry. 14(8)
Amino acids are among the building blocks of life, forming peptides and proteins, and have been carefully 'selected' to prevent harmful reactions caused by light. To prevent photodamage, molecules relax from electronic excited states to the ground st
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fedaeb673abc6ef87dd2273ed7add808
https://pubmed.ncbi.nlm.nih.gov/35655007
https://pubmed.ncbi.nlm.nih.gov/35655007