Density functional theory study of Al23, Al26 and Al92 clusters
Goldberg, A, Halls, M D, Kung, P, Liang, J-J
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.06.2009)
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.06.2009)
Get full text
Journal Article
Surface-Enhanced Raman Spectra of Phthalimide. Interpretation of the SERS Spectra of the Surface Complex Formed on Silver Islands and Colloids
Aroca, R. F, Clavijo, R. E, Halls, M. D, Schlegel, H. B
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2000)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2000)
Get full text
Journal Article
Density functional theory study of Al 23 , Al 26 and Al 92 clusters
Goldberg, A, Halls, M D, Kung, P, Liang, J-J
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.06.2009)
Published in Journal of physics. B, Atomic, molecular, and optical physics (28.06.2009)
Get full text
Journal Article
How will quantum computers provide an industrially relevant computational advantage in quantum chemistry?
Elfving, V E, Broer, B W, Webber, M, Gavartin, J, Halls, M D, Lorton, K P, Bochevarov, A
Published in arXiv.org (25.09.2020)
Published in arXiv.org (25.09.2020)
Get full text
Paper
Journal Article
Ab initio calculation of the a 3Σu+interaction potential and vibrational levels of 7Li2
HALLS, M. D, SCHLEGEL, H. B, DEWITT, M. J, DRAKE, G. W. F
Published in Chemical physics letters (15.05.2001)
Published in Chemical physics letters (15.05.2001)
Get full text
Journal Article
XeF 2 -induced removal of SiO 2 near Si surfaces at 300 K:An unexpected proximity effect
Veyan, J.-F., Halls, M. D., Rangan, S., Aureau, D., Yan, X.-M., Chabal, Y. J.
Published in Journal of applied physics (13.12.2010)
Published in Journal of applied physics (13.12.2010)
Get full text
Journal Article
XeF 2 -induced removal of SiO2 near Si surfaces at 300 K: An unexpected proximity effect
Veyan, J.-F., Halls, M. D., Rangan, S., Aureau, D., Yan, X.-M., Chabal, Y. J.
Published in Journal of applied physics (01.12.2010)
Published in Journal of applied physics (01.12.2010)
Get full text
Journal Article
Discovery of New Anode SEI Forming Additives Using an in silico Evolutionary Approach
Murdock, Stuart E., Hughes, Thomas F., Kwak, Shaun H., Goldberg, Alexander, Giesen, David J, Cao, Yixiang, Sanders, Jeffrey, Gavartin, Jacob, Dathar, G. K. Phani, Halls, Mathew D.
Published in ECS transactions (09.09.2015)
Published in ECS transactions (09.09.2015)
Get full text
Journal Article
Chemistry Inside Carbon Nanotubes: the Menshutkin SN2 Reaction
Halls, Mathew D, Schlegel, H. Bernhard
Published in The journal of physical chemistry. B (28.02.2002)
Published in The journal of physical chemistry. B (28.02.2002)
Get full text
Journal Article
Chemical failure modes of AlQ3-based OLEDs: AlQ3 hydrolysis
Knox, John E, Halls, Mathew D, Hratchian, Hrant P, Schlegel, H Bernhard
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
Published in Physical chemistry chemical physics : PCCP (01.01.2006)
Get more information
Journal Article