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Kedziora, Gary S.
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1

Vitrimer Transition Temperature Identification: Coupling Va..:

Hubbard, Amber M. ; Ren, Yixin ; Konkolewicz, Dominik...
ACS Applied Polymer Materials.  3 (2021)  4 - p. 1756-1766 , 2021
Link: https://doi.org/10.1021/..
 
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2

Ab initio molecular dynamics modeling of single polyethylen..:

Kedziora, Gary S. ; Moller, James ; Berry, Rajiv.
The Journal of Chemical Physics.  155 (2021)  2 - p. , 2021
Link: https://doi.org/10.1063/..
 
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3

Analytic non-adiabatic derivative coupling terms for spin-o..:

Belcher, Lachlan T. ; Kedziora, Gary S. ; Weeks, David E.
The Journal of Chemical Physics.  151 (2019)  23 - p. , 2019
Link: https://doi.org/10.1063/..
 
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4

Analytic non-adiabatic derivative coupling terms for spin-o..:

Belcher, Lachlan T. ; Lewis III, Charlton D. ; Kedziora, Gary S..
The Journal of Chemical Physics.  151 (2019)  23 - p. , 2019
Link: https://doi.org/10.1063/..
 
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5

Atomistic prediction of plane stress behavior of glassy the..:

Moller, James C. ; Kedziora, Gary S. ; Barr, Stephen A...
Computational Materials Science.  128 (2017)  - p. 257-277 , 2017
Link: https://doi.org/10.1016/..
 
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6

Bond breaking in stretched molecules: multi-reference metho..:

Kedziora, Gary S. ; Barr, Stephen A. ; Berry, Rajiv..
Theoretical Chemistry Accounts.  135 (2016)  3 - p. , 2016
Link: https://doi.org/10.1007/..
 
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7

Bond breaking in epoxy systems: A combined QM/MM approach:

Barr, Stephen A. ; Kedziora, Gary S. ; Ecker, Allison M....
The Journal of Chemical Physics.  144 (2016)  24 - p. , 2016
Link: https://doi.org/10.1063/..
 
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8

Computation of the binding free energy of peptides to graph..:

Welch, Corrinne M. ; Camden, Aerial N. ; Barr, Stephen A....
The Journal of Chemical Physics.  143 (2015)  4 - p. 045104 , 2015
Link: https://doi.org/10.1063/..
 
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9

Anomeric effects in fluoro and trifluoromethyl piperidines:..:

Erxleben, Nathan D. ; Kedziora, Gary S. ; Urban, Joseph J.
Theoretical Chemistry Accounts.  133 (2014)  7 - p. , 2014
Link: https://doi.org/10.1007/..
 
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10

Molecular dynamics simulation of two photon-absorbing polyi..:

Trohalaki, Steven ; Kedziora, Gary S. ; Pachter, Ruth
Polymer.  53 (2012)  16 - p. 3421-3425 , 2012
Link: https://doi.org/10.1016/..
 
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11

M + Ng potential energy curves including spin-orbit couplin..:

Blank, L ; Weeks, David E. ; Kedziora, Gary S.
The Journal of Chemical Physics.  136 (2012)  12 - p. , 2012
Link: https://doi.org/10.1063/..
 
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12

Structural Reorganizations Control Intermolecular Conductan..:

Lebedev, Nikolai ; Trammell, Scott A. ; Dressick, Walter...
Photochemistry and Photobiology.  87 (2011)  5 - p. 1024-1030 , 2011
Link: https://doi.org/10.1111/..
 
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13

On the Role of Oxygen in the Formation of Electron Transmis..:

Lebedev, Nikolai ; Griva, Igor ; Trammell, Scott A....
The Journal of Physical Chemistry C.  114 (2010)  28 - p. 12341-12345 , 2010
Link: https://doi.org/10.1021/..
 
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14

The Effect of Water on Electron Transfer through Conductive..:

Lebedev, Nikolai ; Griva, Igor ; Kedziora, Gary S...
The Journal of Physical Chemistry C.  114 (2010)  51 - p. 22710-22717 , 2010
Link: https://doi.org/10.1021/..
 
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15

The accuracy of molecular bond lengths computed by multiref..:

Shepard, Ron ; Kedziora, Gary S. ; Lischka, Hans...
Chemical Physics.  349 (2008)  1-3 - p. 37-57 , 2008
Link: https://doi.org/10.1016/..
 
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