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Issue DateTitleAuthor(s)
2008-02-15Construction of building blocks for extended porphyrin arrays by nitration of porphyrin-2,3-diones and quinoxalino[2,3-b]porphyrinsCrossley, MJ; Sheehan, CS; Khoury, T; Reimers, JR; Sintic, PJ
2009-11-20Scanning tunneling microscopic observation of adatom-mediated motifs on gold-thiol self-assembled monolayers at high coverageWang, Y; Chi, Q; Hush, NS; Reimers, JR; Zhang, J; Ulstrup, J
2012-06-05Frequency-based quantum computers from a Chemist's perspectiveMcKemmish, LK; Kedziora, DJ; White, GR; Hush, NS; Reimers, JR
2019-10-28Absorption-emission symmetry breaking and the different origins of vibrational structures of the 1Qy and 1Qx electronic transitions of pheophytin aRätsep, M; Linnanto, JM; Muru, R; Biczysko, M; Reimers, JR; Freiberg, A
2020-02-01Source code, input data, and sample output concerning the application of multistate density functional theory to the singdoublet and tripdoublet states of the ethylene cationYang, L; Grofe, A; Reimers, JR; Gao, J
2016-01-28From chaos to order: Chain-length dependence of the free energy of formation of meso-tetraalkylporphyrin self-assembled monolayer polymorphsReimers, JR; Panduwinata, D; Visser, J; Chin, Y; Tang, C; Goerigk, L; Ford, MJ; Baker, M; Sum, TJ; Coenen, MJJ; Hendriksen, BLM; Elemans, JAAW; Hush, NS; Crossley, MJ
2015-07-02Bond angle variations in XH<inf>3</inf> [X = N, P, As, Sb, Bi]: The critical role of Rydberg orbitals exposed using a diabatic state modelReimers, JR; McKemmish, LK; McKenzie, RH; Hush, NS
2020-05-28Spontaneous S-Si bonding of alkanethiols to Si(111)-H: Towards Si-molecule-Si circuitsPeiris, CR; Ciampi, S; Dief, EM; Zhang, J; Canfield, PJ; Le Brun, AP; Kosov, DS; Reimers, JR; Darwish, N
2018-03-13Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron NitrideReimers, JR; Sajid, A; Kobayashi, R; Ford, MJ
2014-02-14Formation of water-chlorophyll clusters in dilute samples of chlorophyll-a in ether at low temperatureReimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E
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