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Search Results - Open Polar - "computational chemistry"
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Data Supporting GoodVibes: automated thermochemistry for heterogeneous
computational
chemistry
data
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Data Supporting GoodVibes: automated thermochemistry for heterogeneous
computational
chemistry
data
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Data Supporting GoodVibes: automated thermochemistry for heterogeneous
computational
chemistry
data
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Heterobiaryl synthesis by contractive C–C coupling via P(V) intermediates
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Heterobiaryl Synthesis By Contractive C–C Coupling Via P(V) Intermediates
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Heterobiaryl Synthesis By Contractive C–C Coupling Via P(V) Intermediates
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AQME: Automated quantum mechanical environments for researchers and educators
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AQME: Automated quantum mechanical environments for researchers and educators
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6
Article in Journal/Newspaper
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Author
Paton, Robert S.
Alegre-Requena, Juan V.
7
Boyle, Benjamin
3
Hilton, Michael C
3
Luchini, Guilian
3
McNally, Andrew
3
Zhang, Xuan
3
Alturaifi, Turki M.
2
Alegre‐Requena, Juan V.
1
Pérez-Soto, Raúl
1
Pérez‐Soto, Raúl
1
S. V., Shree Sowndarya
1
Sowndarya S. V., Shree
1
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Topic
Automation
3
DFT
3
GoodVibes
3
Quantum Chemistry
3
Thermochemistry
3
Thermodynamics
3
computational chemistry
3
gaussian
3
ligand coupling
3
mechanism
3
orca
3
quasi-RRHO
3
quasi-harmonic
3
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DataCite Metadata Store (German National Library of Science and Technology)
4
Zenodo
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Digital Repository of University of Zaragoza (ZAGUAN)
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Wiley Online Library
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English
5
unknown
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Orca
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