دنبال کردن
Todd J Martinez
عنوان
نقل شده توسط
نقل شده توسط
سال
Force-induced activation of covalent bonds in mechanoresponsive polymeric materials‏
DA Davis, A Hamilton, J Yang, LD Cremar, D Van Gough, SL Potisek, ...‏
Nature 459 (7243), 68-72, 2009‏
17842009
Quantum chemistry on graphical processing units. 3. Analytical energy gradients, geometry optimization, and first principles molecular dynamics‏
IS Ufimtsev, TJ Martinez‏
Journal of Chemical Theory and Computation 5 (10), 2619-2628, 2009‏
9942009
Isomerization through conical intersections‏
BG Levine, TJ Martínez‏
Annu. Rev. Phys. Chem. 58 (1), 613-634, 2007‏
9572007
Ab initio multiple spawning: Photochemistry from first principles quantum molecular dynamics‏
M Ben-Nun, J Quenneville, TJ Martínez‏
The Journal of Physical Chemistry A 104 (22), 5161-5175, 2000‏
9422000
Conical intersections and double excitations in time-dependent density functional theory‏
BG Levine, C Ko, J Quenneville, TJ MartÍnez‏
Molecular Physics 104 (5-7), 1039-1051, 2006‏
7342006
Quantum chemistry on graphical processing units. 1. Strategies for two-electron integral evaluation‏
IS Ufimtsev, TJ Martinez‏
Journal of Chemical Theory and Computation 4 (2), 222-231, 2008‏
6572008
Ab initio nonadiabatic quantum molecular dynamics‏
BFE Curchod, TJ Martínez‏
Chemical reviews 118 (7), 3305-3336, 2018‏
6552018
Building force fields: An automatic, systematic, and reproducible approach‏
LP Wang, TJ Martinez, VS Pande‏
The journal of physical chemistry letters 5 (11), 1885-1891, 2014‏
5562014
Ab Initio Quantum Molecular Dynamics‏
M Ben‐Nun, TJ Martínez‏
Advances in chemical physics 121, 439-512, 2002‏
5202002
Quantum chemistry on graphical processing units. 2. Direct self-consistent-field implementation‏
IS Ufimtsev, TJ Martinez‏
Journal of Chemical Theory and Computation 5 (4), 1004-1015, 2009‏
4732009
Nonadiabatic molecular dynamics: Validation of the multiple spawning method for a multidimensional problem‏
M Ben-Nun, TJ Martınez‏
The Journal of chemical physics 108 (17), 7244-7257, 1998‏
4511998
Optimizing conical intersections without derivative coupling vectors: Application to multistate multireference second-order perturbation theory (MS-CASPT2)‏
BG Levine, JD Coe, TJ Martínez‏
The Journal of Physical Chemistry B 112 (2), 405-413, 2008‏
4502008
Multi-electronic-state molecular dynamics: A wave function approach with applications‏
TJ Martinez, M Ben-Nun, RD Levine‏
The Journal of Physical Chemistry 100 (19), 7884-7895, 1996‏
4501996
Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine‏
HR Hudock, BG Levine, AL Thompson, H Satzger, D Townsend, N Gador, ...‏
The Journal of Physical Chemistry A 111 (34), 8500-8508, 2007‏
4182007
Generating efficient quantum chemistry codes for novel architectures‏
AV Titov, IS Ufimtsev, N Luehr, TJ Martinez‏
Journal of chemical theory and computation 9 (1), 213-221, 2013‏
4012013
Discovering chemistry with an ab initio nanoreactor‏
LP Wang, A Titov, R McGibbon, F Liu, VS Pande, TJ Martínez‏
Nature chemistry 6 (12), 1044-1048, 2014‏
3992014
Mechanism and dynamics of azobenzene photoisomerization‏
T Schultz, J Quenneville, B Levine, A Toniolo, TJ Martínez, S Lochbrunner, ...‏
Journal of the American Chemical Society 125 (27), 8098-8099, 2003‏
3922003
Systematic improvement of a classical molecular model of water‏
LP Wang, T Head-Gordon, JW Ponder, P Ren, JD Chodera, PK Eastman, ...‏
The Journal of Physical Chemistry B 117 (34), 9956-9972, 2013‏
3672013
Trapping a diradical transition state by mechanochemical polymer extension‏
JM Lenhardt, MT Ong, R Choe, CR Evenhuis, TJ Martinez, SL Craig‏
Science 329 (5995), 1057-1060, 2010‏
3352010
Ab initio study of cis− trans photoisomerization in stilbene and ethylene‏
J Quenneville, TJ Martinez‏
The Journal of Physical Chemistry A 107 (6), 829-837, 2003‏
3262003
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20