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1 Ergebnisse
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Sella, an Open-Source Automation-Friendly Molecular Saddle ..:
Hermes, Eric D.
;
Sargsyan, Khachik
;
Najm, Habib N.
.
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6974-6988 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00395
RT Journal T1 <Title>Sella, an Open-Source Automation-Friendly Molecular Saddle Point Optimizer</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00395&Exemplar=1&LAN=DE A1 Hermes, Eric D. A1 Sargsyan, Khachik A1 Najm, Habib N. A1 Zádor, Judit PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 11 SP 6974 OP 6988 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00395 DO https://doi.org/10.1021/acs.jctc.2c00395 SF ELIB - SuUB Bremen
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