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Mullinax, J. Wayne
23
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Online (23)
Mediatypes
Articles (Online) (14)
OpenAccess-fulltext (9)
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1
Amide and Urea Based Solvents for Li–O2 Batteries. Part II:..:
Mullinax, J. Wayne
;
Bauschlicher Jr., Charles W.
;
Knudsen, Kristian B.
...
The Journal of Physical Chemistry C. 127 (2023) 15 - p. 7043-7053 , 2023
Link:
https://doi.org/10.1021/..
?
2
Amide- and Urea-Based Solvents for Li–O2 Batteries. Part I:..:
Knudsen, Kristian B.
;
Arrechea, Pedro L.
;
Viggiano, Rocco P.
...
The Journal of Physical Chemistry C. 127 (2023) 15 - p. 7037-7042 , 2023
Link:
https://doi.org/10.1021/..
?
3
Modeling Singlet Oxygen-Induced Degradation Pathways Includ..:
Mullinax, J. Wayne
;
Bauschlicher Jr., Charles W.
;
Lawson, John W.
The Journal of Physical Chemistry A. 126 (2022) 43 - p. 7997-8006 , 2022
Link:
https://doi.org/10.1021/..
?
4
Microscopic deformation and failure modes of high‐functiona..:
Jang, Chang Woon
;
Mullinax, J. Wayne
;
Kang, Jin Ho
...
Polymer Engineering & Science. 62 (2022) 12 - p. 3952-3963 , 2022
Link:
https://doi.org/10.1002/..
?
5
Mechanical Properties and Failure of Aerospace-Grade Epoxy ..:
Jang, Chang Woon
;
Mullinax, J. Wayne
;
Lawson, John W.
ACS Applied Polymer Materials. 4 (2022) 8 - p. 5269-5274 , 2022
Link:
https://doi.org/10.1021/..
?
6
Reaction of Singlet Oxygen with the Ethylene Group: Implica..:
Mullinax, J. Wayne
;
Bauschlicher Jr., Charles W.
;
Lawson, John W.
The Journal of Physical Chemistry A. 125 (2021) 14 - p. 2876-2884 , 2021
Link:
https://doi.org/10.1021/..
?
7
Suppression of Parasitic Chemistry in Li–O2 Batteries Incor..:
Arrechea, Pedro Luis
;
Knudsen, Kristian B.
;
Mullinax, J. Wayne
...
ACS Applied Energy Materials. 3 (2020) 9 - p. 8812-8821 , 2020
Link:
https://doi.org/10.1021/..
?
8
Heterogeneous CPU + GPU Algorithm for Variational Two-Elect..:
Mullinax, J. Wayne
;
Maradzike, Elvis
;
Koulias, Lauren N.
...
Journal of Chemical Theory and Computation. 15 (2019) 11 - p. 6164-6178 , 2019
Link:
https://doi.org/10.1021/..
?
9
Analytic Energy Gradients for Variational Two-Electron Redu..:
Mullinax, J. Wayne
;
Epifanovsky, Evgeny
;
Gidofalvi, Gergely
.
Journal of Chemical Theory and Computation. 15 (2018) 1 - p. 276-289 , 2018
Link:
https://doi.org/10.1021/..
?
10
Radicals derived from acetaldehyde and vinyl alcohol:
Estep, Marissa L.
;
Morgan, W. James
;
Winkles, Alexander T.
...
Physical Chemistry Chemical Physics. 19 (2017) 40 - p. 27275-27287 , 2017
Link:
https://doi.org/10.1039/..
?
11
Intermolecular interactions and proton transfer in the hydr..:
Lee, Sebastian J. R.
;
Mullinax, J. Wayne
;
Schaefer, Henry F.
Physical Chemistry Chemical Physics. 18 (2016) 8 - p. 6201-6208 , 2016
Link:
https://doi.org/10.1039/..
?
12
Can Density Cumulant Functional Theory Describe Static Corr..:
Mullinax, J. Wayne
;
Sokolov, Alexander Yu.
;
Schaefer III, Henry F.
Journal of Chemical Theory and Computation. 11 (2015) 6 - p. 2487-2495 , 2015
Link:
https://doi.org/10.1021/..
?
13
Conical Intersections and Low‐Lying Electronic States of Te..:
Mullinax, J. Wayne
;
Sokolov, Alexander Yu
;
Schaefer III, Henry F.
ChemPhysChem. 15 (2014) 11 - p. 2359-2366 , 2014
Link:
https://doi.org/10.1002/..
?
14
Tetragermacyclobutadiene: Energetically Disfavored with Res..:
Mullinax, J. Wayne
;
Hollman, David S.
;
Schaefer III, Henry F.
Chemistry – A European Journal. 19 (2013) 23 - p. 7487-7495 , 2013
Link:
https://doi.org/10.1002/..
?
15
Beyond MP2 initialization for unitary coupled cluster quant..:
Hirsbrunner, Mark R
;
Chamaki, Diana
;
Mullinax, J. Wayne
.
http://arxiv.org/abs/2301.05666. , 2023
Link:
http://arxiv.org/abs/230..
1-15