Molecular Dynamics Simulations Enforcing Nonperiodic Boundary Conditions: New Developments and Application to the Solvent Shifts of Nitroxide Magnetic Parameters

Bibliographic Details
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
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Database: British Library Document Supply Centre Inside Serials & Conference Proceedings
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ISSN:15499618
Published in:JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Language:English