25 Publications
2021
Mapping Quantum Chemical Dynamics Problems to Spin-Lattice Simulators
Saha, Debadrita⋅Saha, Debadrita⋅Saha, Debadrita⋅Iyengar, Srinivasan S⋅Iyengar, Srinivasan S⋅Iyengar, Srinivasan S⋅Richerme, Philip⋅Richerme, Philip⋅Richerme, Philip⋅Smith, Jeremy M⋅Smith, Jeremy M⋅Smith, Jeremy M⋅Sabry, Amr⋅Sabry, Amr and Sabry, Amr
Journal of Chemical Theory and Computation, vol. 17, (no. 11), Nov 9, 2021. | Journal Article
2019
A Dimeric Hydride-Bridged Complex with Geometrically Distinct Iron Centers Giving Rise to an S = 3 Ground State
Hickey, Anne K.⋅Hickey, Anne K⋅Hickey, A.K.⋅Hickey, Anne K⋅Greer, Samuel M.⋅Greer, Samuel M⋅Greer, Samuel M⋅Greer, S.M.⋅Valdez-Moreira, Juan A.⋅Valdez-Moreira, Juan A⋅Valdez-Moreira, Juan A⋅Valdez-Moreira, J.A.⋅Lutz, Sean A.⋅Lutz, Sean A⋅Lutz, S.A.⋅Lutz, Sean A⋅Pink, M.⋅Pink, Maren⋅Pink, Maren⋅Pink, Maren⋅DeGayner, Jordan A⋅DeGayner, Jordan A⋅DeGayner, Jordan A.⋅Degayner, J.A.⋅Harris, T. David⋅Harris, T.D.⋅Harris, T. David⋅Harris, T. David⋅Hill, Stephen⋅Hill, Stephen⋅Hill, Stephen⋅Hill, S.⋅Telser, J.⋅Telser, Joshua⋅Telser, Joshua⋅Telser, Joshua⋅Smith, Jeremy M.⋅Smith, Jeremy M⋅Smith, Jeremy M and Smith, J.M.
Journal of the American Chemical Society, vol. 141, (no. 30), pp. 11975, 2019-07-31. | Journal Article
 
Magnetization Slow Dynamics in Ferrocenium Complexes
Ding, Mei⋅Ding, Mei⋅Ding, Mei⋅Hickey, Anne K.⋅Hickey, Anne K⋅Hickey, Anne K⋅Pink, Maren⋅Pink, Maren⋅Pink, Maren⋅Telser, Joshua⋅Telser, Joshua⋅Telser, Joshua⋅Tierney, David L.⋅Tierney, David L⋅Tierney, David L⋅Amoza, Martin⋅Amoza, Martin⋅Amoza, Martin⋅Rouzières, Mathieu⋅Rouzières, Mathieu⋅Rouzières, Mathieu⋅Ozumerzifon, Tarik J.⋅Ozumerzifon, Tarik J⋅Ozumerzifon, Tarik J⋅Hoffert, Wesley A⋅Hoffert, Wesley A.⋅Hoffert, Wesley A⋅Shores, Matthew P⋅Shores, Matthew P.⋅Shores, Matthew P⋅Ruiz, Eliseo⋅Ruiz, Eliseo⋅Ruiz, Eliseo⋅Clérac, Rodolphe⋅Clérac, Rodolphe⋅Clérac, Rodolphe⋅Smith, Jeremy M.⋅Smith, Jeremy M and Smith, Jeremy M
Chemistry – A European Journal, vol. 25, (no. 45), pp. 10632, August 9, 2019. | Journal Article
2018
A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.
Xu, Song⋅Xu, Song⋅Ashley, Daniel C⋅Ashley, Daniel C⋅Kwon, Hyuk-Yong⋅Kwon, Hyuk-Yong⋅Ware, Gabrielle R⋅Ware, Gabrielle R⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Losovyj, Yaroslav⋅Losovyj, Yaroslav⋅Gao, Xinfeng⋅Gao, Xinfeng⋅Jakubikova, Elena⋅Jakubikova, Elena⋅Smith, Jeremy M and Smith, Jeremy M
Chemical science, vol. 9, (no. 22), pp. 4950-4958, June 14, 2018. | Journal Article
 
Heteroleptic nickel complexes of a bulky bis(carbene)borate ligand
Martinez, Jorge L⋅Martinez, Jorge⋅Martinez, Jorge L⋅Lee, Wei-Tsung⋅Lee, Wei-Tsung⋅Lee, Wei Tsung⋅Pink, Maren⋅Pink, Maren⋅Pink, Maren⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Smith, Jeremy M⋅Smith, Jeremy M and Smith, Jeremy
Polyhedron, vol. 156, (no. 1), pp. 302, 2018-12-01. | Journal Article
 
Mechanistic study of styrene aziridination by iron(iv) nitrides
Crandell, Douglas W⋅Muñoz, 3rd, Salvador B⋅Smith, Jeremy M and Baik, Mu-Hyun
Chemical science, vol. 9, (no. 45), pp. 8552, 2018-Dec-07. | Journal Article
2017
Cyanide Ligand Assembly by Carbon Atom Transfer to an Iron Nitride
Martinez, Jorge L⋅Martinez, Jorge L⋅Martinez, Jorge L⋅Martinez, J.L.⋅Martinez, Jorge L⋅Lin, Hsiu-Jung⋅Lin, Hsiu-Jung⋅Lin, Hsiu-Jung⋅Lin, Hsiu-Jung⋅Lin, H.-J.⋅Lee, Wei-Tsung⋅Lee, Wei Tsung⋅Lee, W.-T.⋅Lee, Wei-Tsung⋅Lee, Wei-Tsung⋅Pink, M.⋅Pink, Maren⋅Pink, Maren⋅Pink, Maren⋅Pink, Maren⋅Chen, C.-H.⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Gao, X.⋅Gao, Xinfeng⋅Gao, Xinfeng⋅Gao, Xinfeng⋅Gao, Xinfeng⋅Dickie, Diane A⋅Dickie, D.A.⋅Dickie, Diane A⋅Dickie, Diane A⋅Dickie, Diane A⋅Smith, Jeremy M⋅Smith, Jeremy M⋅Smith, Jeremy M⋅Smith, J.M. and Smith, Jeremy M
Journal of the American Chemical Society, vol. 139, (no. 40), pp. 14040, 2017-10-11. | Journal Article
 
Intramolecular Oxyl Radical Coupling Promotes O-O Bond Formation in a Homogeneous Mononuclear Mn-based Water Oxidation Catalyst: A Computational Mechanistic Investigation
Crandell, Douglas W⋅Xu, Song⋅Smith, Jeremy M and Baik, Mu-Hyun
Inorganic chemistry, vol. 56, (no. 8), pp. 4436, 2017-Apr-17. | Journal Article
 
Intramolecular Oxyl Radical Coupling Promotes O–O Bond Formation in a Homogeneous Mononuclear Mn-based Water Oxidation Catalyst: A Computational Mechanistic Investigation
Crandell, Douglas W⋅Xu, Song⋅Smith, Jeremy M and Baik, Mu-Hyun
Inorganic chemistry, vol. 56, (no. 8), pp. 4445, 2017-Apr-17. | Journal Article
 
Ligand Substituent Effects in Manganese Pyridinophane Complexes: Implications for Oxygen-Evolving Catalysis
Xu, Song⋅Xu, Song⋅Xu, Song⋅Bucinsky, Lukas⋅Bucinsky, Lukas⋅Bucinsky, Lukas⋅Breza, Martin⋅Breza, Martin⋅Breza, Martin⋅Krzystek, J⋅Krzystek, J⋅Krzystek, J.⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Pink, Maren⋅Pink, Maren⋅Pink, Maren⋅Telser, Joshua⋅Telser, Joshua⋅Telser, Joshua⋅Smith, Jeremy M⋅Smith, Jeremy M. and Smith, Jeremy M
Inorganic chemistry, vol. 56, (no. 22), pp. 14325, 2017-Nov-20. | Journal Article
 
Near-infrared 2Eg → 4A2g and visible LMCT luminescence from a molecular bis-(tris(carbene)borate) manganese(IV) complex
Baslon, Valérie⋅Baslon, Valérie⋅Baslon, Valerie⋅Baslon, V.⋅Harris, Joe P.⋅Harris, Joe P⋅Harris, Joe P⋅Harris, J.P.⋅Reber, Christian⋅Reber, Christian⋅Reber, Christian⋅Reber, C.⋅Colmer, Hannah E⋅Colmer, Hannah E⋅Colmer, Hannah E.⋅Colmer, H.E.⋅Jackson, Timothy A⋅Jackson, T.A.⋅Jackson, Timothy A.⋅Jackson, Timothy A⋅Forshaw, A.P.⋅Forshaw, Adam P⋅Forshaw, Adam P.⋅Forshaw, Adam P⋅Smith, Jeremy M⋅Smith, J.M.⋅Smith, Jeremy M⋅Smith, Jeremy M.⋅Kinney, R. Adam⋅Kinney, R. Adam⋅Kinney, R.A.⋅Kinney, R. Adam⋅Telser, Joshua⋅Telser, Joshua⋅Telser, J. and Telser, Joshua
Canadian Journal of Chemistry, vol. 95, (no. 5), pp. 552, 20170000. | Journal Article
 
Two-state reactivity in C-H activation by a four-coordinate iron(0) complex.
Hickey, Anne K⋅Lutz, Sean A⋅Chen, Chun-Hsing and Smith, Jeremy M
Chemical communications (Cambridge, England), January 9, 2017. | Journal Article
2016
A Low Spin Manganese(IV) Nitride Single Molecule Magnet.
Ding, Mei⋅Ding, Mei⋅Cutsail, 3rd, George E⋅Cutsail, George E⋅Aravena, Daniel⋅Aravena, Daniel⋅Amoza, Martín⋅Amoza, Martín⋅Rouzières, Mathieu⋅Rouzières, Mathieu⋅Dechambenoit, Pierre⋅Dechambenoit, Pierre⋅Losovyj, Yaroslav⋅Losovyj, Yaroslav⋅Pink, Maren⋅Pink, Maren⋅Ruiz, Eliseo⋅Ruiz, Eliseo⋅Clérac, Rodolphe⋅Clérac, Rodolphe⋅Smith, Jeremy M and Smith, Jeremy M
Chemical science, vol. 7, (no. 9), pp. 6132-6140, September 1, 2016. | Journal Article
 
Arrested α-hydride migration activates a phosphido ligand for C-H insertion.
Hickey, Anne K⋅Hickey, Anne K⋅Muñoz, Salvador B⋅Muñoz, Salvador B⋅Lutz, Sean A⋅Lutz, Sean A⋅Pink, Maren⋅Pink, Maren⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Smith, Jeremy M and Smith, Jeremy M
Chemical communications (Cambridge, England), vol. 53, (no. 2), pp. 412-415, December 22, 2016. | Journal Article
2015
Low-Valent Iron Carbonyl Complexes with a Tripodal Carbene Ligand
Hickey, Anne K⋅Hickey, Anne K⋅Chen, Chun-Hsing⋅Chen, Chun-Hsing⋅Pink, Maren⋅Pink, Maren⋅Smith, Jeremy M and Smith, Jeremy M
Organometallics, vol. 34, (no. 18), pp. 4566, 2015-09-28. | Journal Article
 
Partial nitrogen atom transfer: a new synthetic tool to design single-molecule magnets.
Ding, Mei⋅Ding, Mei⋅Rouzières, Mathieu⋅Rouzières, Mathieu⋅Losovyj, Yaroslav⋅Losovyj, Yaroslav⋅Pink, Maren⋅Pink, Maren⋅Clérac, Rodolphe⋅Clérac, Rodolphe⋅Smith, Jeremy M and Smith, Jeremy M
Inorganic chemistry, vol. 54, (no. 18), pp. 9075-9080, September 21, 2015. | Journal Article
 
Styrene Aziridination by Iron(IV) Nitrides.
Muñoz, Salvador B⋅Muñoz, Salvador B⋅Muñoz III, Salvador B.⋅Muñoz, S.B.⋅Lee, Wei‐Tsung⋅Lee, Wei Tsung⋅Lee, W.-T.⋅Lee, Wei-Tsung⋅Dickie, Diane A⋅Dickie, D.A.⋅Dickie, Diane A⋅Dickie, Diane A.⋅Scepaniak, Jeremiah J⋅Scepaniak, J.J.⋅Scepaniak, Jeremiah J⋅Scepaniak, Jeremiah J.⋅Subedi, Deepak⋅Subedi, Deepak⋅Subedi, D.⋅Subedi, Deepak⋅Pink, Maren⋅Pink, Maren⋅Pink, Maren⋅Pink, M.⋅Johnson, Michael D⋅Johnson, Michael D.⋅Johnson, Michael D⋅Johnson, M.D.⋅Smith, Jeremy M⋅Smith, Jeremy M⋅Smith, J.M. and Smith, Jeremy M.
Angewandte Chemie (International ed. in English), vol. 54, (no. 36), pp. 10600-10603, September 1, 2015. | Journal Article
2014
Computational evaluation of tris(carbene)borate donor properties in {NiNO}(10) complexes.
Juarez, Ruth A⋅Lee, Wei Tsung⋅Smith, Jeremy M and Wang, Haobin
Dalton transactions (Cambridge, England : 2003), vol. 43, (no. 39), pp. 14689-14695, October 21, 2014. | Journal Article
 
EPR, ENDOR, and Electronic Structure Studies of the Jahn–Teller Distortion in an FeV Nitride
Cutsail, George E⋅Cutsail III, George E⋅Stein, Benjamin W⋅Stein, Benjamin W⋅Subedi, Deepak⋅Subedi, Deepak⋅Smith, Jeremy M⋅Smith, Jeremy M⋅Kirk, Martin L⋅Kirk, Martin L⋅Hoffman, Brian M and Hoffman, Brian M
Journal of the American Chemical Society, vol. 136, (no. 35), pp. 12336, 2014-09-03. | Journal Article
 
Ligand modification transforms a catalase mimic into a water oxidation catalyst.
Lee, W.-T.⋅Lee, Wei Tsung⋅Muñoz, Salvador B⋅Muñoz III, S.B.⋅Dickie, D.A.⋅Dickie, Diane A⋅Smith, J.M. and Smith, Jeremy M
Angewandte Chemie (International ed. in English), vol. 53, (no. 37), pp. 9856-9859, September 8, 2014. | Journal Article
 
Low-Coordinate Iron(II) Complexes of a Bulky Bis(carbene)borate Ligand
Lee, W.-T.⋅Lee, Wei-Tsung⋅Jeon, I.-R.⋅Jeon, Ie-Rang⋅Xu, S.⋅Xu, Song⋅Dickie, Diane A⋅Dickie, D.A.⋅Smith, J.M. and Smith, Jeremy M
Organometallics, vol. 33, (no. 20), pp. 5659, 2014-10-27. | Journal Article
 
Reaction of an iron(IV) nitrido complex with cyclohexadienes: cycloaddition and hydrogen-atom abstraction.
Lee, W.-T.⋅Lee, Wei Tsung⋅Juarez, Ruth A⋅Juarez, R.A.⋅Scepaniak, Jeremiah J⋅Scepaniak, J.J.⋅Muñoz, S.B.⋅Muñoz, Salvador B⋅Dickie, Diane A⋅Dickie, D.A.⋅Wang, H.⋅Wang, Haobin⋅Smith, Jeremy M and Smith, J.M.
Inorganic chemistry, vol. 53, (no. 16), pp. 8425-8430, August 18, 2014. | Journal Article
 
Steric and electronic control of the spin state in three-fold symmetric, four-coordinate iron(II) complexes.
Lin, H.-J.⋅Lin, Hsiu-Jung⋅Siretanu, D.⋅Siretanu, Diana⋅Dickie, Diane A⋅Dickie, D.A.⋅Subedi, D.⋅Subedi, Deepak⋅Scepaniak, J.J.⋅Scepaniak, Jeremiah J⋅Mitcov, D.⋅Mitcov, Dmitri⋅Clérac, R.⋅Clérac, Rodolphe⋅Smith, J.M. and Smith, Jeremy M
Journal of the American Chemical Society, vol. 136, (no. 38), pp. 13326-13332, September 24, 2014. | Journal Article
2013
A tripodal ligand constructed from mesoionic carbene donors.
Lee, W.-T.⋅Lee, Wei Tsung⋅Dickie, Diane A⋅Dickie, D.A.⋅Metta Magaã±A, Alejandro J.⋅Metta-Magaña, Alejandro J⋅Metta-Magaña, A.J.⋅Smith, J.M. and Smith, Jeremy M
Inorganic chemistry, vol. 52, (no. 21), pp. 12842-6, 2013/Nov/4. | Journal Article
 
Photoinduced single-molecule magnet properties in a four-coordinate iron(II) spin crossover complex.
Mathonière, Corine⋅Lin, Hsiu-Jung⋅Siretanu, Diana⋅Clérac, Rodolphe and Smith, Jeremy M
Journal of the American Chemical Society, vol. 135, (no. 51), pp. 19083-19086, December 26, 2013. | Journal Article