Concepedia

Mitigating cerium migration for perfluorosulfonic acid membranes using organic ligands

Tanya Agarwal, Ivana Matanović, Santosh Adhikari, Eun Joo Park, Siddharth Komini Babu, Yu Seung Kim, Ding Tian, Chulsung Bae, Oscar Morales‐Collazo, Joan F. Brennecke,

Journal of Power Sources · 2022 · 23 citations · 35 references

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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text

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How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?

Sı́lvia Simon, Miquel Duran, J. J. Dannenberg · The Journal of Chemical Physics · 1996 · 2.2K citations · Full text

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New roads and challenges for fuel cells in heavy-duty transportation

David A. Cullen, K.C. Neyerlin, Rajesh Ahluwalia et al. · Nature Energy · 2021 · 1.2K citations · Full text

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