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Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations
Palmer, Michael H., Ridley, Trevor, Hoffmann, Søren Vrønning, Jones, Nykola C., Coreno, Marcello, de Simone, Monica, Grazioli, Cesare, Zhang, Teng, Biczysko, Malgorzata, Baiardi, Alberto, Peterson, Kirk
Published in The Journal of chemical physics (28.10.2015)
Published in The Journal of chemical physics (28.10.2015)
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A generalized Poisson solver for first-principles device simulations
Bani-Hashemian, Mohammad Hossein, Brück, Sascha, Luisier, Mathieu, VandeVondele, Joost
Published in The Journal of chemical physics (28.01.2016)
Published in The Journal of chemical physics (28.01.2016)
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Combined theoretical and experimental study of the valence, Rydberg, and ionic states of chlorobenzene
Palmer, Michael H., Ridley, Trevor, Vrønning Hoffmann, Søren, Jones, Nykola C., Coreno, Marcello, de Simone, Monica, Grazioli, Cesare, Zhang, Teng, Biczysko, Malgorzata, Baiardi, Alberto, Peterson, Kirk A.
Published in The Journal of chemical physics (28.03.2016)
Published in The Journal of chemical physics (28.03.2016)
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Electronic properties of tantalum pentoxide polymorphs from first-principles calculations
Lee, J., Department of Electrical Engineering and Computer Science, University of Michigan, Ann Arbor 48109, Lu, W., Kioupakis, E.
Published in Applied physics letters (17.11.2014)
Published in Applied physics letters (17.11.2014)
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Coverage Effects and the Nature of the Metal−Sulfur Bond in S/Au(111): High-Resolution Photoemission and Density-Functional Studies
Rodriguez, José A, Dvorak, Joseph, Jirsak, Tomas, Liu, Gang, Hrbek, Jan, Aray, Yosslen, González, Carlos
Published in Journal of the American Chemical Society (08.01.2003)
Published in Journal of the American Chemical Society (08.01.2003)
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The transition to the metallic state in low density hydrogen
McMinis, Jeremy, Morales, Miguel A., Ceperley, David M., Kim, Jeongnim
Published in The Journal of chemical physics (21.11.2015)
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Published in The Journal of chemical physics (21.11.2015)
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Defect disorder in UO{sub 2}
Hassan, A.-R., El-Azab, Anter, Yablinsky, Clarissa, Allen, T.
Published in Journal of solid state chemistry (15.08.2013)
Published in Journal of solid state chemistry (15.08.2013)
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Effect of point and grain boundary defects on the mechanical behavior of monolayer MoS{sub 2} under tension via atomistic simulations
Dang, Khanh Q., Spearot, Douglas E., Institute for Nanoscience and Engineering, University of Arkansas, Fayetteville, Arkansas 72701
Published in Journal of applied physics (07.07.2014)
Published in Journal of applied physics (07.07.2014)
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Development of tight-binding based GW algorithm and its computational implementation for graphene
Majidi, Muhammad Aziz, Naradipa, Muhammad Avicenna, Phan, Wileam Yonatan, Syahroni, Ahmad, Rusydi, Andrivo
Published in AIP conference proceedings (19.04.2016)
Published in AIP conference proceedings (19.04.2016)
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Exotic structure in light neutron-rich nuclei
Itagaki, N., Zhao, P. W., Meng, J., Matsuno, H., Suhara, T.
Published in AIP conference proceedings (15.10.2015)
Published in AIP conference proceedings (15.10.2015)
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Resonance Raman Spectroscopy Of Rhenium(I) Complexes With Sulfur-Containing Polypyridyl Ligands
Gordon, Keith C, Fraser, Michael G, Horvath, Raphael
Published in AIP conference proceedings (01.01.2010)
Published in AIP conference proceedings (01.01.2010)
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Efficient regeneration of partially spent ammonia borane fuel
Davis, Benjamin Lee, Gordon, John C, Stephens, Frances, Dixon, David A, Matus, Myrna H
Published in Angewandte Chemie (International ed.) (01.01.2008)
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Published in Angewandte Chemie (International ed.) (01.01.2008)
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