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1 Ergebnisse
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Molecular Dynamics Simulations Enforcing Nonperiodic Bounda..:
Mancini, Giordano
;
Fusè, Marco
;
Lipparini, Filippo
...
Journal of Chemical Theory and Computation. 18 (2022) 4 - p. 2479-2493 , 2022
Link:
https://doi.org/10.1021/acs.jctc.2c00046
RT Journal T1 <Title>Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.2c00046&Exemplar=1&LAN=DE A1 Mancini, Giordano A1 Fusè, Marco A1 Lipparini, Filippo A1 Nottoli, Michele A1 Scalmani, Giovanni A1 Barone, Vincenzo PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 4 SP 2479 OP 2493 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.2c00046 DO https://doi.org/10.1021/acs.jctc.2c00046 SF ELIB - SuUB Bremen
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