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Author Title [ Type(Desc)] Year
Filters: Author is Martinez, Todd  [Clear All Filters]
Journal Article
Evenhuis C, Martínez TJ.  2011.  A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization. The Journal of chemical physics. 135:224110.
Presselt M, Wojdyr M, Beenken WJD, Kruk M, Martínez TJ.  2014.  Steric and electronic contributions to the core reactivity of monoprotonated 5-phenylporphyrin: A DFT study. Chemical Physics Letters. 603:21–27.
Wang L-P, Head-Gordon T, Ponder JW, Ren P, Chodera J, Eastman PK, Martínez TJ, Pande VS.  2013.  Systematic improvement of a classical molecular model of water. The Journal of Physical Chemistry B. 117:9956–9972.
Wang L-P, Head-Gordon T, Ponder J, Ren P, Chodera J, Eastman P, Martínez TJ, Pande VS.  2014.  Systematic Improvement on the Classical Molecular Model of Water. Biophysical Journal. 106:403a.
Hohenstein EG, Parrish RM, Martínez TJ.  2012.  Tensor hypercontraction density fitting. I. Quartic scaling second-and third-order Møller-Plesset perturbation theory. The Journal of chemical physics. 137:044103.
Hohenstein EG, Kokkila SIL, Parrish RM, Martínez TJ.  2013.  Tensor Hypercontraction Equation-of-Motion Second-Order Approximate Coupled Cluster: Electronic Excitation Energies in O (N 4) Time. The Journal of Physical Chemistry B. 117:12972–12978.
Parrish RM, Hohenstein EG, Martínez TJ, C Sherrill D.  2012.  Tensor hypercontraction. II. Least-squares renormalization. The Journal of chemical physics. 137:224106.
Thompson AL, Martínez TJ.  2011.  Time-resolved photoelectron spectroscopy from first principles: Excited state dynamics of benzene. Faraday discussions. 150:293–311.
Lenhardt JM, Ong MT, Choe R, Evenhuis CR, Martínez TJ, Craig SL.  2010.  Trapping a diradical transition state by mechanochemical polymer extension. Science. 329:1057–1060.
Burghardt I, Martinez T, Sibert E.  2008.  A tribute to James T.(Casey) Hynes.. The journal of physical chemistry. B. 112:189–205.
Tao H, Allison TK, Wright TW, Stooke AM, Khurmi C, van Tilborg J, Liu Y, Falcone RW, Belkacem A, Martínez TJ.  2011.  Ultrafast internal conversion in ethylene. I. The excited state lifetime. The Journal of chemical physics. 134:244306.
Varganov SA, Martínez TJ.  2010.  Variational geminal-augmented multireference self-consistent field theory: Two-electron systems. The Journal of chemical physics. 132:054103.