Hauptseite > Publikationsdatenbank > Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC > print |
001 | 910414 | ||
005 | 20240625095120.0 | ||
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100 | 1 | _ | |a Kirsch, Till |0 0000-0003-2056-1182 |b 0 |e Corresponding author |
245 | _ | _ | |a Wavefunction-Based Electrostatic-Embedding QM/MM Using CFOUR through MiMiC |
260 | _ | _ | |a Washington, DC |c 2022 |
336 | 7 | _ | |a article |2 DRIVER |
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700 | 1 | _ | |a Olsen, Jógvan Magnus Haugaard |0 0000-0001-7487-944X |b 1 |
700 | 1 | _ | |a Bolnykh, Viacheslav |0 P:(DE-Juel1)168432 |b 2 |
700 | 1 | _ | |a Meloni, Simone |0 0000-0002-3925-3799 |b 3 |
700 | 1 | _ | |a Ippoliti, Emiliano |0 P:(DE-Juel1)146009 |b 4 |
700 | 1 | _ | |a Rothlisberger, Ursula |0 0000-0002-1704-8591 |b 5 |
700 | 1 | _ | |a Cascella, Michele |0 0000-0003-2266-5399 |b 6 |
700 | 1 | _ | |a Gauss, Jürgen |0 0000-0002-6432-9345 |b 7 |
773 | _ | _ | |a 10.1021/acs.jctc.1c00878 |g Vol. 18, no. 1, p. 13 - 24 |0 PERI:(DE-600)2166976-4 |n 1 |p 13 - 24 |t Journal of chemical theory and computation |v 18 |y 2022 |x 1549-9618 |
856 | 4 | _ | |u https://juser.fz-juelich.de/record/910414/files/acs.jctc.1c00878.pdf |y Restricted |
856 | 4 | _ | |y OpenAccess |u https://juser.fz-juelich.de/record/910414/files/Main_Text.pdf |
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