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Michael Sullivan
Michael Sullivan
Senior Scientist, Materials Science and Engineering, Institute of High Performance Computing
在 ihpc.a-star.edu.sg 的电子邮件经过验证 - 首页
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引用次数
引用次数
年份
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
2902003
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
2642011
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
2622007
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
1992008
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
1682012
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
1412017
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
1352017
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
1272009
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
1212015
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
1022016
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
992001
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
932013
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
852000
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
802003
Transparent conducting properties of SrSnO3 and ZnSnO3
KP Ong, X Fan, A Subedi, MB Sullivan, DJ Singh
APL Materials 3 (6), 062505, 2015
782015
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
732011
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
662007
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
602012
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
591998
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
542012
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