Zobrazeno 1 - 10
of 153
pro vyhledávání: '"Erin R. Johnson"'
Publikováno v:
ACS Central Science, Vol 10, Iss 6, Pp 1251-1261 (2024)
Externí odkaz:
https://doaj.org/article/687d35a9897e447ea8053c68d1851e9a
Publikováno v:
Beilstein Journal of Organic Chemistry, Vol 14, Iss 1, Pp 1181-1191 (2018)
Modern approaches to modelling dispersion forces are becoming increasingly accurate, and can predict accurate binding distances and energies. However, it is possible that these successes reflect a fortuitous cancellation of errors at equilibrium. Thu
Externí odkaz:
https://doaj.org/article/d20494944c6c4f9f8b78c5be12e5e2ac
Publikováno v:
Chemical Science. 14:4777-4785
The variable-cell experimental powder difference (VC-xPWDF) method allows rapid screening of both experimental and in silico generated crystal structures to identify matches to experimental powder X-ray diffractograms of unknown polymorphs.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f444de462771e61fa325bf1463ebe23
https://doi.org/10.1039/d3sc00168g
https://doi.org/10.1039/d3sc00168g
Publikováno v:
Organometallics. 41:2180-2187
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::059ceefc6b9560104846c0be5e0fe635
https://doi.org/10.1021/acs.organomet.2c00268
https://doi.org/10.1021/acs.organomet.2c00268
Autor:
Kyle R. Bryenton, Erin R. Johnson
Publikováno v:
The Journal of Chemical Physics. 158
London dispersion is a weak, attractive, intermolecular force that occurs due to interactions between instantaneous dipole moments. While individual dispersion contributions are small, they are the dominating attractive force between nonpolar species
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dbd89a313ff173f7da4b2a1f5556f813
https://doi.org/10.1063/5.0142465
https://doi.org/10.1063/5.0142465
Autor:
Connor M. Simon, Samantha L. Dudra, Ryan T. McGuire, Michael J. Ferguson, Erin R. Johnson, Mark Stradiotto
Publikováno v:
ACS Catalysis. 12:1475-1480
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87a7c66a8c86489689f4caeba49b8b58
https://doi.org/10.1021/acscatal.1c05386
https://doi.org/10.1021/acscatal.1c05386
Publikováno v:
CrystEngComm. 24:8326-8338
The improved variable-cell powder difference (VC-PWDF) method provides a valuable addition to the toolbox of quantitative methods for crystal structure comparison.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f88d3af44853423109644c6e3fc0e494
https://doi.org/10.1039/d2ce01080a
https://doi.org/10.1039/d2ce01080a
Autor:
Adebayo A. Adeleke, Erin R. Johnson
Publikováno v:
Physical Review B. 107
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57c124b09449b77a02c01f511d38edba
https://doi.org/10.1103/physrevb.107.064101
https://doi.org/10.1103/physrevb.107.064101
Publikováno v:
Digital Discovery.
MLXDM: Machine Learned eXchange-hole Dipole Moment dispersion correction for Neural Network Potentials.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce854fd5c60ace1540946dbbb8dbcbcc
https://doi.org/10.1039/d2dd00150k
https://doi.org/10.1039/d2dd00150k
Autor:
Connor M. Simon, Katherine N. Robertson, Patrick L. DeRoy, Arun A. Yadav, Erin R. Johnson, Mark Stradiotto
Publikováno v:
Organometallics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::491f3f17bb5977ddf2e5dcffc913e322
https://doi.org/10.1021/acs.organomet.2c00545
https://doi.org/10.1021/acs.organomet.2c00545