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Publications

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Author Title Type [ Year(Asc)]
Filters: Author is Martínez, Todd J  [Clear All Filters]
2008
Schlosberg CE, Hudock H, Martínez TJ.  2008.  CHED 1026-Simulating a relaxation mechanism for UV-excited 9H-Adenine. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 235
Ufimtsev IS, Martínez TJ.  2008.  COMP 60-Graphical processing unit: A novel computational architecture for quantum chemistry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 236
Yang S, Coe JD, Kaduk B, Martínez TJ.  2008.  Multiple Spawning with Optimal Basis Set Expansion. arXiv preprint arXiv:0809.1703.
Ufimtsev IS, Martínez TJ.  2008.  PHYS 125-Leveraging graphical processing units (GPUs) for quantum chemistry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 235
Martínez TJ.  2008.  PHYS 164-Femtosecond time-resolved photoelectron spectroscopy from ab initio multiple spawning dynamics. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 236
Punwong C, Martínez TJ.  2008.  PHYS 208-Photoinduced isomerization of retinal in complex environments. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 235
Chen J, Martínez TJ.  2008.  Size-extensive polarizabilities with intermolecular charge transfer in a fluctuating-charge model. arXiv preprint arXiv:0812.1544.
2007
Chen J, Martínez TJ.  2007.  COMP 107-QTPIE: A minimal extension of Goddard's QEq model with correct dissociation. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Martínez TJ.  2007.  COMP 398-Redesigning photoactive proteins from first principles. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Robinson D, Hemp J, Kelleher NL, Martínez TJ, Gennis RB.  2007.  The evolutionary migration of a post-translationally modified active-site residue in the proton-pumping heme-copper oxygen reductases. BIOPHYSICAL JOURNAL. :502A–502A.
Martínez TJ, Hudock HR, Virshup A, Yang S.  2007.  First principles molecular dynamics of electronically excited DNA and RNA bases. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 233:97–97.
Punwong C, Owens JM, Martínez TJ.  2007.  PHYS 114-Direct QM/MM simulations of the excited state dynamics of retinal protonated Schiff base in isolation and complex environments. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Levine BG, Martínez TJ.  2007.  PHYS 197-Ab initio molecular dynamics of photoisomerization in cis-stilbene. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Hudock H, Virshup A, Martínez TJ.  2007.  PHYS 323-Radiationless decay of pyrimidine bases in the gas phase and in water. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234
Tao H, Martínez TJ.  2007.  PHYS 511-Conformer-selected photodissociation: Ab initio multiple spawning dynamics of excited propanal cation. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 234

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