Christine A. Schwerdtfeger, Ph.D. - Publications

Affiliations: 
2012 Chemistry University of Chicago, Chicago, IL 
Area:
theoretical chemistry

14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Goyal P, Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. Proton Quantization and Vibrational Relaxation in Nonadiabatic Dynamics of Photoinduced Proton-Coupled Electron Transfer in a Solvated Phenol-Amine Complex. The Journal of Physical Chemistry. B. PMID 26812149 DOI: 10.1021/Acs.Jpcb.5B12015  0.447
2015 Goyal P, Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. Nonadiabatic dynamics of photoinduced proton-coupled electron transfer in a solvated phenol-amine complex. The Journal of Physical Chemistry. B. 119: 2758-68. PMID 25545667 DOI: 10.1021/Jp5126969  0.431
2014 Schwerdtfeger CA, Soudackov AV, Hammes-Schiffer S. Nonadiabatic dynamics of electron transfer in solution: explicit and implicit solvent treatments that include multiple relaxation time scales. The Journal of Chemical Physics. 140: 034113. PMID 25669369 DOI: 10.1063/1.4855295  0.364
2013 Shenvi N, van Aggelen H, Yang Y, Yang W, Schwerdtfeger C, Mazziotti D. The tensor hypercontracted parametric reduced density matrix algorithm: coupled-cluster accuracy with O(r(4)) scaling. The Journal of Chemical Physics. 139: 054110. PMID 23927246 DOI: 10.1063/1.4817184  0.546
2013 Hoy EP, Schwerdtfeger CA, Mazziotti DA. Relative energies and geometries of the cis- and trans-HO3 radicals from the parametric 2-electron density matrix method. The Journal of Physical Chemistry. A. 117: 1817-25. PMID 23418646 DOI: 10.1021/Jp3105562  0.698
2012 Schwerdtfeger CA, Mazziotti DA. Low-rank spectral expansions of two electron excitations for the acceleration of quantum chemistry calculations. The Journal of Chemical Physics. 137: 244103. PMID 23277924 DOI: 10.1063/1.4770278  0.66
2012 Schwerdtfeger CA, Mazziotti DA. Treating molecules in arbitrary spin states using the parametric two-electron reduced-density-matrix method. The Journal of Chemical Physics. 137: 034107. PMID 22830683 DOI: 10.1063/1.4731810  0.664
2012 Sand AM, Schwerdtfeger CA, Mazziotti DA. Strongly correlated barriers to rotation from parametric two-electron reduced-density-matrix methods in application to the isomerization of diazene. The Journal of Chemical Physics. 136: 034112. PMID 22280749 DOI: 10.1063/1.3675683  0.68
2012 Hoy EP, Schwerdtfeger CA, Mazziotti DA. Isoelectronic analogue of oxywater: A parametric two-electron reduced-density-matrix study of ammonia oxide Molecular Physics. 110: 765-773. DOI: 10.1080/00268976.2012.668226  0.692
2011 Schwerdtfeger CA, Mazziotti DA. Populations of carbonic acid isomers at 210 K from a fast two-electron reduced-density matrix theory. The Journal of Physical Chemistry. A. 115: 12011-6. PMID 21978172 DOI: 10.1021/Jp2057805  0.592
2011 Schwerdtfeger CA, DePrince AE, Mazziotti DA. Testing the parametric two-electron reduced-density-matrix method with improved functionals: application to the conversion of hydrogen peroxide to oxywater. The Journal of Chemical Physics. 134: 174102. PMID 21548668 DOI: 10.1063/1.3585568  0.666
2009 Schwerdtfeger CA, Mazziotti DA. Convex-set description of quantum phase transitions in the transverse Ising model using reduced-density-matrix theory. The Journal of Chemical Physics. 130: 224102. PMID 19530757 DOI: 10.1063/1.3143403  0.557
2008 Ginovska B, Camaioni DM, Dupuis M, Schwerdtfeger CA, Gil Q. Charge-dependent cavity radii for an accurate dielectric continuum model of solvation with emphasis on ions: aqueous solutes with oxo, hydroxo, amino, methyl, chloro, bromo, and fluoro functionalities. The Journal of Physical Chemistry. A. 112: 10604-13. PMID 18816107 DOI: 10.1021/Jp804092V  0.351
2005 Camaioni DM, Schwerdtfeger CA. Comment on "Accurate experimental values for the free energies of hydration of H+, OH-, and H3O+". The Journal of Physical Chemistry. A. 109: 10795-7. PMID 16863129 DOI: 10.1021/Jp054088K  0.351
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