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A
Slavíček P, Martínez TJ.  2010.  Ab initio floating occupation molecular orbital-complete active space configuration interaction: An efficient approximation to CASSCF. The Journal of chemical physics. 132:234102.
Hudock HR, Levine BG, Thompson AL, Satzger H, Townsend D, Gador N, Ullrich S, Stolow A, Martínez TJ.  2007.  Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine. The Journal of Physical Chemistry A. 111:8500–8508.
Coe JD, Levine BG, Martínez TJ.  2007.  Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory. The Journal of Physical Chemistry A. 111:11302–11310.
Levine BG, Martínez TJ.  2009.  Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer. The Journal of Physical Chemistry A. 113:12815–12824.
Tao H, Levine BG, Martínez TJ.  2009.  Ab initio multiple spawning dynamics using multi-state second-order perturbation theory. The Journal of Physical Chemistry A. 113:13656–13662.
Kulik HJ, Luehr N, Ufimtsev IS, Martínez TJ.  2012.  Ab initio quantum chemistry for protein structures. The Journal of Physical Chemistry B. 116:12501–12509.
Spector LS, Artamonov M, Miyabe S, Martínez TJ, Seideman T, Guehr M, Bucksbaum PH.  2014.  Axis-dependence of molecular high harmonic emission in three dimensions. Nature communications. 5
C
Ufimtsev IS, Luehr N, Martínez TJ.  2011.  Charge transfer and polarization in solvated proteins from ab initio molecular dynamics. The Journal of Physical Chemistry Letters. 2:1789–1793.
Parrish RM, C Sherrill D, Hohenstein EG, Kokkila SIL, Martínez TJ.  2014.  Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction. The Journal of chemical physics. 140:181102.
Hohenstein EG, Parrish RM, C Sherrill D, Martínez TJ.  2012.  Communication: Tensor hypercontraction. III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions. The Journal of chemical physics. 137:221101.
Hemp J, Han H, Roh JHyeob, Kaplan S, Martínez TJ, Gennis RB.  2007.  Comparative genomics and site-directed mutagenesis support the existence of only one input channel for protons in the C-family (cbb 3 oxidase) of heme-copper oxygen reductases. Biochemistry. 46:9963–9972.
Kim MHwa, Shen L, Tao H, Martínez TJ, Suits AG.  2007.  Conformationally controlled chemistry: excited-state dynamics dictate ground-state reaction. Science. 315:1561–1565.
Tao H, Shen L, Kim MHwa, Suits AG, Martínez TJ.  2011.  Conformationally selective photodissociation dynamics of propanal cation. The Journal of chemical physics. 134:054313.
Kim J, Tao H, White JL, Petrović VS, Martínez TJ, Bucksbaum PH.  2011.  Control of 1, 3-cyclohexadiene photoisomerization using light-induced conical intersections. The Journal of Physical Chemistry A. 116:2758–2763.

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