edoc

Items where Author is "Devereux, Mike"

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: Date | Item Type | Refereed
Jump to: 2023 | 2022 | 2020 | 2019 | 2017 | 2015 | 2014
Number of items: 9.

2023

Risi, Guglielmo and Devereux, Mike and Prescimone, Alessandro and Housecroft, Catherine E. and Constable, Edwin C.. (2023) Back to the future: asymmetrical DπA 2,2'-bipyridine ligands for homoleptic copper(I)-based dyes in dye-sensitized solar cells. RSC Advances, 13. pp. 4122-4137.

2022

Pokratath, Rohan and Van den Eynden, Dietger and Cooper, Susan Rudd and Mathiesen, Jette Katja and Waser, Valérie and Devereux, Mike and Billinge, Simon J. L. and Meuwly, Markus and Jensen, Kirsten M. Ø. and De Roo, Jonathan. (2022) Mechanistic Insight into the Precursor Chemistry of ZrO₂ and HfO₂ Nanocrystals; towards Size-Tunable Syntheses. JACS Au, 2 (4). pp. 827-838.

Boittier, Eric D. and Devereux, Mike and Meuwly, Markus. (2022) Molecular Dynamics with Conformationally Dependent, Distributed Charges. Journal of Chemical Theory and Computation, 18 (12). pp. 7544-7554.

2020

Devereux, Mike and Pezzella, Marco and Raghunathan, Shampa and Meuwly, Markus. (2020) Polarizable Multipolar Molecular Dynamics Using Distributed Point Charges. Journal of Chemical Theory and Computation, 16 (12). pp. 7267-7280.

2019

Mannancherry, Rajesh and Devereux, Mike and Haeussinger, Daniel and Mayor, Marcel. (2019) Molecular Ansa-Basket: Synthesis of Inherently Chiral All-Carbon [12](1,6)Pyrenophane. Journal of Organic Chemistry, 84 (9). pp. 5271-5276.

2017

Unke, Oliver T. and Devereux, Mike and Meuwly, Markus. (2017) Minimal distributed charges: Multipolar quality at the cost of point charge electrostatics. Journal of Chemical Physics, 147 (16). p. 161712.

2015

Dudev, Todor and Devereux, Mike and Meuwly, Markus and Lim, Carmay and Piquemal, Jean-Philip and Gresh, Nohad. (2015) Quantum-Chemistry Based Calibration of the Alkali Metal Cation Series (Li+-Cs+) for Large-Scale Polarizable Molecular Mechanics/Dynamics Simulations. Journal of Computational Chemistry, 36 (5). pp. 285-302.

2014

Devereux, Mike and Raghunathan, Shampa and Fedorov, Dmitri G. and Meuwly, Markus. (2014) A Novel, Computationally Efficient Multipolar Model Employing Distributed Charges for Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, 10 (10). pp. 4229-4241.

Devereux, Mike and Gresh, Nohad and Piquemal, Jean-Philip and Meuwly, Markus. (2014) A Supervised Fitting Approach to Force Field Parametrization with Application to the SIBFA Polarizable Force Field. Journal of Computational Chemistry, 35 (21). pp. 1577-1591.

This list was generated on Fri Mar 29 07:16:15 2024 CET.