Browsing byAuthorReimers, JR

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Issue DateTitleAuthor(s)
2021-12-15Silicon - single molecule - silicon circuits.Reimers, JR; Yang, J; Darwish, N; Kosov, DS
2021-05-19Accurate prediction of the properties of materials using the CAM‐B3LYP density functionalLi, M; Reimers, JR; Ford, MJ; Kobayashi, R; Amos, RD
2021-03Identifying carbon as the source of visible single-photon emission from hexagonal boron nitride.Mendelson, N; Chugh, D; Reimers, JR; Cheng, TS; Gottscholl, A; Long, H; Mellor, CJ; Zettl, A; Dyakonov, V; Beton, PH; Novikov, SV; Jagadish, C; Tan, HH; Ford, MJ; Toth, M; Bradac, C; Aharonovich, I
2020-12-03Covalent Linkages of Molecules and Proteins to Si-H Surfaces Formed by Disulfide Reduction.Dief, EM; Vogel, YB; Peiris, CR; Le Brun, AP; Gonçales, VR; Ciampi, S; Reimers, JR; Darwish, N
2020-09-24Convergence of Defect Energetics CalculationsReimers, JR; Sajid, A; Kobayashi, R; Ford, MJ
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
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
2020-01Asymmetry in the Qy Fluorescence and Absorption Spectra of Chlorophyll <i>a</i> Pertaining to Exciton Dynamics.Reimers, JR; Rätsep, M; Freiberg, A
2019-12-17Single-photon emitters in hexagonal boron nitride: a review of progress.Sajid, A; Ford, MJ; 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
2019-09-28Competition between charge migration and charge transfer induced by nuclear motion following core ionization: Model systems and application to Li<inf>2</inf><sup>+</sup>Yang, L; Reimers, JR; Kobayashi, R; Hush, NS
2019-05-09Noel S. HushReimers, JR
2019-05-09Noel S. HushReimers, JR
2019-03-21Bioferroelectric Properties of Glycine CrystalsHu, P; Hu, S; Huang, Y; Reimers, JR; Rappe, AM; Li, Y; Stroppa, A; Ren, W
2019-01-01Decomposition of Ferrocene on Pt(111) and Its Effect on Molecular Electronic JunctionsReimers, JR; Wang, Y; Kosov, DS
2018-12-01Understanding non-linear effects from Hill-type dynamics with application to decoding of p53 signalingShi, X; Reimers, JR
2018-11-14Energy flow in the Photosystem I supercomplex: Comparison of approximative theories with DM-HEOMKramer, T; Noack, M; Reimers, JR; Reinefeld, A; Rodríguez, M; Yin, S
2018-10-30Faraday cage screening reveals intrinsic aspects of the van der Waals attractionLi, M; Reimers, JR; Dobson, JF; Gould, T
2018-10-04Van der Waals Forces Control the Internal Chemical Structure of Monolayers within the Lamellar Materials CuInP<inf>2</inf>S<inf>6</inf> and CuBiP<inf>2</inf>Se<inf>6</inf>Tawfik, SA; Reimers, JR; Stampfl, C; Ford, MJ
2018-08-16Polarization effect within a protein crystal: A molecular dynamics simulation studyZhu, T; Wu, C; Song, J; Reimers, JR; Li, Y