www.faccts.de/docs/orca/6....
pubs.acs.org/doi/full/10....
#ORCAqc #CompChem
www.faccts.de/docs/orca/6....
pubs.acs.org/doi/full/10....
#ORCAqc #CompChem
#ORCAqc #ORCA61 #FACCTs #QuantumChem #CompChem #ChemSky #CompChemSky
#ORCAqc #ORCA61 #FACCTs #QuantumChem #CompChem #ChemSky #CompChemSky
#ORCAqc #ORCA6 #CompChem #ChemSky
pubs.acs.org/doi/10.1021/...
#ORCAqc #ORCA6 #CompChem #ChemSky
pubs.acs.org/doi/10.1021/...
www.youtube.com/@faccts_orca
ORCA 6.1 Release Event Playlist:
www.youtube.com/watch?v=mRSk...
#ORCA61 #ORCAqc #FACCTs #MPIKOFO #CompChem #QuantumChem #ChemSky #CompChemSky
www.youtube.com/@faccts_orca
ORCA 6.1 Release Event Playlist:
www.youtube.com/watch?v=mRSk...
#ORCA61 #ORCAqc #FACCTs #MPIKOFO #CompChem #QuantumChem #ChemSky #CompChemSky
#ORCAqc #CompChem #XAS
pubs.acs.org/doi/10.1021/...
#ORCAqc #CompChem #XAS
pubs.acs.org/doi/10.1021/...
#ORCAqc #ORCA6 #CLAFQO16
#ORCAqc #ORCA6 #CLAFQO16
doi.org/10.1002/chem...
#ORCAqc #CompChemSky #ChemSky
doi.org/10.1002/chem...
#ORCAqc #CompChemSky #ChemSky
doi.org/10.1002/jcc....
#ORCAqc #CompChem #QuantumChem #ChemSky
doi.org/10.1002/jcc....
#ORCAqc #CompChem #QuantumChem #ChemSky
#ORCAqc #ORCA6 #CompChem #QuantumChem #ML #Meta
ai.meta.com/blog/meta-fa...
arxiv.org/abs/2505.08762
#ORCAqc #ORCA6 #CompChem #QuantumChem #ML #Meta
ai.meta.com/blog/meta-fa...
arxiv.org/abs/2505.08762
www.faccts.de/docs/orca/6....
#ChemSky #ORCAqc #ORCA6 #Solvation #CompChem
www.faccts.de/docs/orca/6....
#ChemSky #ORCAqc #ORCA6 #Solvation #CompChem
doi.org/10.1039/D4SC...
#ORCAqc #ChemSky #CompChemSky
doi.org/10.1039/D4SC...
#ORCAqc #ChemSky #CompChemSky
#ORCAqc #ORCA6 #CompChem #QuantumChem
#ORCAqc #ORCA6 #CompChem #QuantumChem
www.faccts.de/docs/orca/6....
#ORCAqc #FACCTs #gxTB #CompChem #QuantumChem
www.faccts.de/docs/orca/6....
#ORCAqc #FACCTs #gxTB #CompChem #QuantumChem
#GCC2024 #ORCAqc #CompChem #QuantumChem #ChemSky
#GCC2024 #ORCAqc #CompChem #QuantumChem #ChemSky
winterschool.cc/program/day-...
#ORCAqc #ORCA6 #VWSCC #ChemSky
winterschool.cc/program/day-...
#ORCAqc #ORCA6 #VWSCC #ChemSky
ORCA 6 release talks: youtube.com/@faccts_orca
Manual: www.faccts.de/docs/orca/6....
Tutorials: www.faccts.de/docs/orca/6....
#ORCA6 #ORCAqc #CompChem
ORCA 6 release talks: youtube.com/@faccts_orca
Manual: www.faccts.de/docs/orca/6....
Tutorials: www.faccts.de/docs/orca/6....
#ORCA6 #ORCAqc #CompChem
#ORCA61 #ORCAqc #CompChem #QuantumChem #TheoChem #FACCTs #MPIKOFO #ChemSky #CompChemSky
#ORCA61 #ORCAqc #CompChem #QuantumChem #TheoChem #FACCTs #MPIKOFO #ChemSky #CompChemSky
#ORCAqc #CompChem #LLM #QuantumChem #ChemSky
#ORCAqc #CompChem #LLM #QuantumChem #ChemSky
ZOOM Webinar
ORCA 6.1 Release Event - Jun 17, 2025 12:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna (CEST)
Link: eu02web.zoom-x.de/j/6815327020...
Passcode: 297206
#ORCA61 #ORCAqc #FACCTs #CompChem #QuantumChem #ChemSky #CompChemSky
ZOOM Webinar
ORCA 6.1 Release Event - Jun 17, 2025 12:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna (CEST)
Link: eu02web.zoom-x.de/j/6815327020...
Passcode: 297206
#ORCA61 #ORCAqc #FACCTs #CompChem #QuantumChem #ChemSky #CompChemSky
doi.org/10.1021/jacs...
www.chemie.de/news/1185223...
#ORCAqc #CompChem #ChemSky #EPR
doi.org/10.1021/jacs...
www.chemie.de/news/1185223...
#ORCAqc #CompChem #ChemSky #EPR
#ORCAqc #ORCA6 #massspectrometry #CID #CompChem #ChemSky #CompChemSky
Just published in #JASMS : doi.org/10.1021/jasms.5c00234
Grateful to my coauthors Stefan Grimme @grimmelab.bsky.social & Marianne Engeser @unibonn.bsky.social - this is the last project of my PhD and completes my work on QCxMS2!
#MassSpec #compchem
#ORCAqc #ORCA6 #massspectrometry #CID #CompChem #ChemSky #CompChemSky
#ORCA61 #ORCAqc #CompChem #CompChemSky #ChemSky
#ORCA61 #ORCAqc #CompChem #CompChemSky #ChemSky
doi.org/10.1021/acs....
#ORCAqc #ORCA6 #NMR #ChemSky #CompChem
doi.org/10.1021/acs....
#ORCAqc #ORCA6 #NMR #ChemSky #CompChem