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Michael Sullivan
Michael Sullivan
Senior Principal Scientist, Material Science and Chemistry, Institute of High Performance Computing
E-mail confirmado em ihpc.a-star.edu.sg - Página inicial
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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
2962003
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
2912011
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
2732007
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, Tan, L Shen
Journal of the American Chemical Society 130 (12), 4023-4027, 2008
2032008
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
1802012
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
1582017
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
1462017
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
1332015
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
1322009
Building better lithium-sulfur batteries: from LiNO3 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), 33154, 2016
1062016
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
1012013
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
1002001
Transparent conducting properties of SrSnO3 and ZnSnO3
KP Ong, X Fan, A Subedi, MB Sullivan, DJ Singh
APL Materials 3 (6), 2015
872015
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
872000
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
832003
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
812011
Unravelling V6O13 Diffusion Pathways via CO2 Modification for High-Performance Zinc Ion Battery Cathode
W Shi, B Yin, Y Yang, MB Sullivan, J Wang, YW Zhang, ZG Yu, WSV Lee, ...
ACS nano 15 (1), 1273-1281, 2021
672021
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
672007
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
631998
Time-dependent density functional theory (TDDFT) modelling of Pechmann dyes: from accurate absorption maximum prediction to virtual dye screening
EAB Kantchev, TB Norsten, MB Sullivan
Organic & Biomolecular Chemistry 10 (33), 6682-6692, 2012
592012
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Artigos 1–20