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Results: 1-4 |
Results: 4
A new ab-initio approach for NMR chemical shifts in periodic systems
Authors: Sebastiani, D Parrinello, M
Citation: D. Sebastiani et M. Parrinello, A new ab-initio approach for NMR chemical shifts in periodic systems, J PHYS CH A, 105(10), 2001, pp. 1951-1958
Accurate total energies without self-consistency - art. no. 226401
Authors: Benoit, DM Sebastiani, D Parrinello, M
Citation: Dm. Benoit et al., Accurate total energies without self-consistency - art. no. 226401, PHYS REV L, 8722(22), 2001, pp. 6401
Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site
Authors: Piana, S Sebastiani, D Carloni, P Parrinello, M
Citation: S. Piana et al., Ab initio molecular dynamics-based assignment of the protonation state of pepstatin A/HIV-1 protease cleavage site, J AM CHEM S, 123(36), 2001, pp. 8730-8737
Generalized variational density functional perturbation theory
Authors: Putrino, A Sebastiani, D Parrinello, M
Citation: A. Putrino et al., Generalized variational density functional perturbation theory, J CHEM PHYS, 113(17), 2000, pp. 7102-7109
Risultati: 1-4 |