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Title: Towards a generalized iso-density continuum model for molecular solvents in plane-wave DFT

Journal Article · · Modelling and Simulation in Materials Science and Engineering
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Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Energy Materials Center at Cornell (EMC2)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
SC0001086
OSTI ID:
1397231
Journal Information:
Modelling and Simulation in Materials Science and Engineering, Vol. 25, Issue 1; Related Information: Emc2 partners with Cornell University (lead); Lawrence Berkeley National Laboratory; ISSN 0965-0393
Publisher:
IOP Publishing
Country of Publication:
United States
Language:
English

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  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
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Stability Analysis of Electrodeposition across a Structured Electrolyte with Immobilized Anions journal January 2014
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