Showing results 84 to 103 of 108
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| Issue Date | Title | Author(s) |
| 2010-10-07 | Reaction force and its link to diabatic analysis: A unifying approach to analyzing chemical reactions | Politzer, P; Reimers, JR; Murray, JS; Toro-Labbé, A |
| 2014-12-18 | Recommending Hartree-Fock theory with London-dispersion and basis-set-superposition corrections for the optimization or quantum refinement of protein structures | Goerigk, L; Collyer, CA; Reimers, JR |
| 2017-09-01 | Relating transition-state spectroscopy to standard chemical spectroscopic processes | Reimers, JR; Hush, NS |
| 2014-01-01 | The role of high-level calculations in the assignment of the Q-band spectra of chlorophyll | Reimers, JR; Cai, ZL; Kobayashi, R; Rätsep, M; Freiberg, A; Krausz, E |
| 2009-11-20 | Scanning tunneling microscopic observation of adatom-mediated motifs on gold-thiol self-assembled monolayers at high coverage | Wang, Y; Chi, Q; Hush, NS; Reimers, JR; Zhang, J; Ulstrup, J |
| 2021-12-15 | Silicon - single molecule - silicon circuits. | Reimers, JR; Yang, J; Darwish, N; Kosov, DS |
| 2023-05-07 | Simulating optical linear absorption for mesoscale molecular aggregates: An adaptive hierarchy of pure states approach. | Gera, T; Chen, L; Eisfeld, A; Reimers, JR; Taffet, EJ; Raccah, DIGB |
| 2019-12-17 | Single-photon emitters in hexagonal boron nitride: a review of progress. | Sajid, A; Ford, MJ; Reimers, JR |
| 2017-12-01 | Solving the scalability issue in quantum-based refinement: Q | Zheng, M; Moriarty, NW; Xu, Y; Reimers, JR; Afonine, PV; Waller, MP |
| 2020-02-01 | Source code, input data, and sample output concerning the application of multistate density functional theory to the singdoublet and tripdoublet states of the ethylene cation | Yang, L; Grofe, A; Reimers, JR; Gao, J |
| 2020-05-28 | Spontaneous S-Si bonding of alkanethiols to Si(111)-H: Towards Si-molecule-Si circuits | Peiris, CR; Ciampi, S; Dief, EM; Zhang, J; Canfield, PJ; Le Brun, AP; Kosov, DS; Reimers, JR; Darwish, N |
| 2017-02-01 | Sulfur ligand mediated electrochemistry of gold surfaces and nanoparticles: What, how, and why | Chi, Q; Ford, MJ; Halder, A; Hush, NS; Reimers, JR; Ulstrup, J |
| 2017-01-01 | Surface Adsorption | Reimers, JR; Li, M; Wan, D; Gould, T; Ford, MJ |
| 2016-01-01 | Synthetically tuneable biomimetic artificial photosynthetic reaction centres that closely resemble the natural system in purple bacteria | Lee, SH; Blake, IM; Larsen, AG; McDonald, JA; Ohkubo, K; Fukuzumi, S; Reimers, JR; Crossley, MJ |
| 2012-01-01 | Toward ab initio refinement of protein X-ray crystal structures: Interpreting and correlating structural fluctuations | Falklöf, O; Collyer, CA; Reimers, JR |
| 2008-01-13 | Towards a comprehensive model for the electronic and vibrational structure of the Creutz-Taube ion | Reimers, JR; Wallace, BB; Hush, NS |
| 2008-07-23 | Two-dimensional, phenanthroline-based, extended π-conjugated molecules for single-molecule conduction | Wohlthat, S; Pauly, F; Reimers, JR |
| 2015-01-01 | Ultraviolet photodissociation action spectroscopy of the N-pyridinium cation | Hansen, CS; Blanksby, SJ; Chalyavi, N; Bieske, EJ; Reimers, JR; Trevitt, AJ |
| 2018-03-13 | Understanding and Calibrating Density-Functional-Theory Calculations Describing the Energy and Spectroscopy of Defect Sites in Hexagonal Boron Nitride | Reimers, JR; Sajid, A; Kobayashi, R; Ford, MJ |
| 2018-12-01 | Understanding non-linear effects from Hill-type dynamics with application to decoding of p53 signaling | Shi, X; Reimers, JR |
