화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Efficient determination of excitation energies and absorption spectra for quantum dots and large systems from ab initio data
Oyeniyi E, Akin-Ojo O
Chemical Physics Letters, 721, 12, 2019
2 Quantum Monte Carlo Study of the Reactions of CH with Acrolein: Major and Minor Channels
Pakhira S, Singh RI, Olatunji-Ojo O, Frenklach M, Lester WA
Journal of Physical Chemistry A, 120(20), 3602, 2016
3 A Quantum Monte Carlo Study of the Reactions of CH with Acrolein
Palchira S, Lengeling BS, Olatunji-Ojo O, Caffarel M, Frenklach M, Lester WA
Journal of Physical Chemistry A, 119(18), 4214, 2015
4 Ab Initio Water Pair Potential with Flexible Monomers
Jankowski P, Murdachaew G, Bukowski R, Akin-Ojo O, Leforestier C, Szalewicz K
Journal of Physical Chemistry A, 119(12), 2940, 2015
5 First-Principles and Kinetic Monte Carlo Simulation Studies of the Reactivity of Tc(0001), MoTc(111) and MoTc(110) Surfaces
Kim E, Weck PF, Taylor CD, Olatunji-Ojo O, Liu XY, Mausolf E, Jarvinen GD, Czerwinski KR
Journal of the Electrochemical Society, 161(3), C83, 2014
6 Effects of the dispersion interaction in liquid water
Akin-Ojo O, Wang F
Chemical Physics Letters, 513(1-3), 59, 2011
7 A Masked Two-Coordinate Cobalt(I) Complex That Activates C-F Bonds
Dugan TR, Sun X, Rybak-Akimova EV, Olatunji-Ojo O, Cundari TR, Holland PL
Journal of the American Chemical Society, 133(32), 12418, 2011
8 Improving the Point-Charge Description of Hydrogen Bonds by Adaptive Force Matching
Akin-Ojo O, Wang F
Journal of Physical Chemistry B, 113(5), 1237, 2009
9 Three-body contribution to the helium interaction potential
Cencek W, Jeziorska M, Akin-Ojo O, Szalewicz K
Journal of Physical Chemistry A, 111(44), 11311, 2007
10 Ab initio studies of He-HCCCN interaction
Akin-Ojo O, Bukowski R, Szalewicz K
Journal of Chemical Physics, 119(16), 8379, 2003