Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters
| Title: | Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters |
|---|---|
| Authors: | Mancini, Giordano, Fusè, Marco, Lipparini, Filippo, Nottoli, Michele, Scalmani, Giovanni, Barone, Vincenzo |
| Source: | JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 18(4):2479-2493 |
| Availability: | http://explore.bl.uk/primo_library/libweb/action/display.do?tabs=detailsTab&gathStatTab=true&ct=display&fn=search&doc=ETOCRN632741614&indx=1&recIds=ETOCRN632741614 |
| Database: | British Library Document Supply Centre Inside Serials & Conference Proceedings |
Be the first to leave a comment!