| 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 |
0.543 |
|
| 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 |
0.696 |
|
| 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 |
0.658 |
|
| 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 |
0.662 |
|
| 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 |
0.679 |
|
| 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 |
0.69 |
|
| 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 |
0.589 |
|
| 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 |
0.664 |
|
| 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 |
0.554 |
|
| 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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