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Martínez, Todd J.
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Martínez, Todd J.
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Martínez, Todd J.
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1
Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Models
by
Liu, Fang
,
Luehr, Nathan
,
Martínez, Todd J
.
,
Kulik, Heather Janine
Published 2017
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Article
2
How Large Should the QM Region Be in QM/MM Calculations? The Case of Catechol O-Methyltransferase
by
Zhang, Jianyu
,
Klinman, Judith P.
,
Martínez, Todd J
.
,
Kulik, Heather Janine
Published 2017
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Article
3
Adapting DFT+U for the Chemically Motivated Correction of Minimal Basis Set Incompleteness
by
Mar, Brendan D.
,
Martinez, Todd J
.
,
Kulik, Heather Janine
,
Seelam, Natasha
Published 2017
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4
Exploiting graphical processing units to enable quantum chemistry calculation of large solvated molecules with conductor-like polarizable continuum models
by
Liu, Fang
,
Sanchez, David M.
,
Kulik, Heather Janine
,
Martínez, Todd J
.
Published 2020
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5
Observation of a Zundel-like transition state during proton transfer in hydroxide solutions
by
Tokmakoff, Andrei
,
Ramasesha, Krupa
,
Petersen, Poul B.
,
Roberts, Sean Thomas
,
Martinez, Todd J
.
,
Ufimtsev, Ivan S.
Published 2010
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