Michael Sullivan
Michael Sullivan
Department Director, Materials Science and Engineering, Institute of High Performance Computing
Verified email at ihpc.a-star.edu.sg - Homepage
Cited by
Cited by
G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry
DJ Henry, MB Sullivan, L Radom
The Journal of chemical physics 118 (11), 4849-4860, 2003
Magnetic molybdenum disulfide nanosheet films
J Zhang, JM Soon, KP Loh, J Yin, J Ding, MB Sullivian, P Wu
Nano letters 7 (8), 2370-2376, 2007
Natural tri-to hexapeptides self-assemble in water to amyloid β-type fiber aggregates by unexpected α-helical intermediate structures
CAE Hauser, R Deng, A Mishra, Y Loo, U Khoe, F Zhuang, DW Cheong, ...
Proceedings of the National Academy of Sciences 108 (4), 1361, 2011
One-dimensional iron− cyclopentadienyl sandwich molecular wire with half metallic, negative differential resistance and high-spin filter efficiency properties
L Zhou, SW Yang, MF Ng, MB Sullivan, VBC Tan, L Shen
Journal of the American Chemical Society 130 (12), 4023-4027, 2008
First-principles investigations of the atomic, electronic, and thermoelectric properties of equilibrium and strained BiSe and BiTe including van der Waals …
X Luo, MB Sullivan, SY Quek
Physical Review B 86 (18), 184111, 2012
Study of Pd–Au bimetallic catalysts for CO oxidation reaction by DFT calculations
J Zhang, H Jin, MB Sullivan, FCH Lim, P Wu
Physical Chemistry Chemical Physics 11 (9), 1441-1446, 2009
Heterogeneous photo-Fenton reaction on hematite (α-Fe 2 O 3){104},{113} and {001} surface facets
JYT Chan, SY Ang, EY Ye, M Sullivan, J Zhang, M Lin
Physical Chemistry Chemical Physics 17 (38), 25333-25341, 2015
meta and para substitution effects on the electronic state energies and ring‐expansion reactivities of phenylnitrenes
WTG Johnson, MB Sullivan, CJ Cramer
International Journal of Quantum Chemistry 85 (4‐5), 492-508, 2001
Thioamide‐Directed Cobalt (III)‐Catalyzed Selective Amidation of C (sp3)− H Bonds
PW Tan, AM Mak, MB Sullivan, DJ Dixon, J Seayad
Angewandte Chemie International Edition 56 (52), 16550-16554, 2017
Structures of Reactive Nitrenium Ions:  Time-Resolved Infrared Laser Flash Photolysis and Computational Studies of Substituted N-Methyl-N-arylnitrenium Ions
S Srivastava, PH Ruane, JP Toscano, MB Sullivan, CJ Cramer, ...
Journal of the American Chemical Society 122 (34), 8271-8278, 2000
Step flow versus mosaic film growth in hexagonal boron nitride
J Lu, PSE Yeo, Y Zheng, H Xu, CK Gan, MB Sullivan, AH Castro Neto, ...
Journal of the American Chemical Society 135 (6), 2368-2373, 2013
Heats of formation of alkali metal and alkaline earth metal oxides and hydroxides: Surprisingly demanding targets for high-level ab initio procedures
MB Sullivan, MA Iron, PC Redfern, JML Martin, LA Curtiss, L Radom
The Journal of Physical Chemistry A 107 (29), 5617-5630, 2003
High-throughput survey of ordering configurations in MXene alloys across compositions and temperatures
TL Tan, HM Jin, MB Sullivan, B Anasori, Y Gogotsi
ACS nano 11 (5), 4407-4418, 2017
Building better lithium-sulfur batteries: from LiNO 3 to solid oxide catalyst
N Ding, L Zhou, C Zhou, D Geng, J Yang, SW Chien, Z Liu, MF Ng, A Yu, ...
Scientific reports 6 (1), 1-10, 2016
Adsorption of molecular oxygen on the walls of pristine and carbon-doped (5, 5) boron nitride nanotubes: Spin-polarized density functional study
J Zhang, KP Loh, J Zheng, MB Sullivan, P Wu
Physical Review B 75 (24), 245301, 2007
Hydrogen adsorption on Rh, Ni, and Pd functionalized single-walled boron nitride nanotubes
LP Zhang, P Wu, MB Sullivan
The Journal of Physical Chemistry C 115 (10), 4289-4296, 2011
Many-body localization and quantum ergodicity in disordered long-range Ising models
P Hauke, M Heyl
Physical Review B 92 (13), 134204, 2015
Quantum chemical analysis of para-substitution effects on the electronic structure of phenylnitrenium ions in the gas phase and aqueous solution
MB Sullivan, K Brown, CJ Cramer, DG Truhlar
Journal of the American Chemical Society 120 (45), 11778-11783, 1998
Electron transmission modes in electrically biased graphene nanoribbons and their effects on device performance
L Shen, M Zeng, S Li, MB Sullivan, YP Feng
Physical Review B 86 (11), 115419, 2012
Adsorption studies of C6H6 on Cu (111), Ag (111), and Au (111) within dispersion corrected density functional theory
TS Chwee, MB Sullivan
The Journal of chemical physics 137 (13), 134703, 2012
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