Browsing byAuthorReimers, JR

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Issue DateTitleAuthor(s)
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
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
2018-06-01A new fundamental type of conformational isomerismCanfield, PJ; Blake, IM; Cai, ZL; Luck, IJ; Krausz, E; Kobayashi, R; Reimers, JR; Crossley, MJ
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
2018-02-01Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computationSajid, A; Reimers, JR; Ford, MJ
2018-01-09How Equilibrium Gets Mimicked during Kinetic and Thermodynamic Control in Porphyrin and Phthalocyanine Self-Assembled MonolayersReimers, JR
2018-01-01Van der Waals forces control ferroelectric-antiferroelectric ordering in CuInP <inf>2</inf> S <inf>6</inf> and CuBiP <inf>2</inf> Se <inf>6</inf> laminar materialsReimers, JR; Tawfik, SA; Ford, MJ
2018-01-01Cyanine platelet single crystals: Growth, crystal structure and optical spectraLeclaire, NA; Li, M; Véron, AC; Neels, A; Heier, J; Reimers, JR; Nüesch, FA
2017-12-01Solving the scalability issue in quantum-based refinement: QZheng, M; Moriarty, NW; Xu, Y; Reimers, JR; Afonine, PV; Waller, MP
2017-10-19Dipole Order in Halide Perovskites: Polarization and Rashba Band SplittingsHu, S; Gao, H; Qi, Y; Tao, Y; Li, Y; Reimers, JR; Bokdam, M; Franchini, C; Di Sante, D; Stroppa, A; Ren, W