Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Julia Brüggemann"'
Publikováno v:
The Journal of chemical physics. 157(24)
Computational protocols for the simulation of two-dimensional infrared (2D IR) spectroscopy usually rely on vibrational exciton models which require an empirical parameterization. Here, we present an efficient quantum-chemical protocol for predicting
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9799180b2cb688cf2111cf0b9d08a37
https://pubmed.ncbi.nlm.nih.gov/36586972
https://pubmed.ncbi.nlm.nih.gov/36586972
Autor:
Julia Brüggemann, Christoph Binder
Publikováno v:
Controlling & Management Review
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::837b0f69b62f949a63c73d162322d33d
http://europepmc.org/articles/PMC7906760
http://europepmc.org/articles/PMC7906760
Publikováno v:
Avian diseases. 66(1)
Fowl glioma-inducing virus (FGV), a strain of avian leukosis virus (ALV) subgroup A, is the causal agent of fowl glioma characterized by multiple nodular astrocytic growths, gliosis, and lymphocytic encephalitis. Also associated with FGV infection ar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b446f46feb0d1dc268d3d99a0bcb84ec
https://pubmed.ncbi.nlm.nih.gov/35230044
https://pubmed.ncbi.nlm.nih.gov/35230044
Autor:
Julia Brüggemann, Christoph R. Jacob
Publikováno v:
Faraday discussions. 224
Applications of density-functional theory (DFT) in computational chemistry rely on an approximate exchange–correlation (xc) functional. However, existing approximations can fail dramatically for open-shell molecules, in particular for transition-me
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::46d32539f44b177b4ffa28d00590cd6f
https://pubmed.ncbi.nlm.nih.gov/32914802
https://pubmed.ncbi.nlm.nih.gov/32914802
Autor:
Christoph Jacob, Julia Brüggemann
Applications of density functionaltheory (DFT) in computational chemistry rely on an approximate exchange-correlation (xc) functional. However, existing approximations can fail dramatically for open-shell molecules, in particular for transition-metal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b9cbf5ac2f984899535ec586566e460
https://doi.org/10.26434/chemrxiv.12312269.v3
https://doi.org/10.26434/chemrxiv.12312269.v3
Autor:
Julia Brüggemann, Christoph R. Jacob
Applications of density functionaltheory (DFT) in computational chemistry rely on an approximate exchange-correlation (xc) functional. However, existing approximations can fail dramatically for open-shell molecules, in particular for transition-metal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::95f1779e4ed5bfe6bd4e85584f573ebc
https://doi.org/10.26434/chemrxiv.12312269.v2
https://doi.org/10.26434/chemrxiv.12312269.v2
Autor:
Julia Brüggemann, Petra Kneip
Publikováno v:
Controlling & Management Review. 62:58-63
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::203af4e65d26f0d312c554861cfa14ea
https://doi.org/10.1007/s12176-017-0141-0
https://doi.org/10.1007/s12176-017-0141-0
Publikováno v:
Controlling & Management Review. 61:48-53
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a9182bb143acec91fd82736fcdf1100
https://doi.org/10.1007/s12176-017-0062-y
https://doi.org/10.1007/s12176-017-0062-y
Publikováno v:
Controlling & Management Review. 61:50-57
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::88471c73f458a6dfea47c59e32dfb157
https://doi.org/10.1007/s12176-017-0058-7
https://doi.org/10.1007/s12176-017-0058-7
Publikováno v:
Controlling & Management Review. 61:58-63
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::49d4a4587e90d963e7eb0a1a3bb8087e
https://doi.org/10.1007/s12176-017-0034-2
https://doi.org/10.1007/s12176-017-0034-2