Showing results 74 to 93 of 108
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| Issue Date | Title | Author(s) |
| 2020-06-29 | Photoluminescence and photochemistry of the $V_B^-$ defect in hexagonal boron nitride | Reimers, JR; Shen, J; Kianinia, M; Bradac, C; Aharonovich, I; Ford, MJ; Piecuch, P |
| 2018-08-16 | Polarization effect within a protein crystal: A molecular dynamics simulation study | Zhu, T; Wu, C; Song, J; Reimers, JR; Li, Y |
| 2009-06-16 | Polymeric di- and discrete trinuclear silver(I) assemblies incorporating γ-carbon bonded, neutral acetylacetone-imine motifs assembled from racemic and diastereopure N,N′-bis(acetylacetone)cyclohexanediimine units | Zhu, BX; Zhang, QL; Zhang, YQ; Tao, Z; Clegg, JK; Reimers, JR; Lindoy, LF; Wei, G |
| 2013-08-14 | Polymorphism in porphyrin monolayers: The relation between adsorption configuration and molecular conformation | Coenen, MJJ; Den Boer, D; Van Den Bruele, FJ; Habets, T; Timmers, KAAM; Van Der Maas, M; Khoury, T; Panduwinata, D; Crossley, MJ; Reimers, JR; Van Enckevort, WJP; Hendriksen, BLM; Elemans, JAAW; Speller, S |
| 2023-05-28 | Predicting layered itinerant magnetic Fe<inf>3</inf>SiSe<inf>2</inf> with spontaneous valley polarization | Qiao, L; Fang, L; Lv, Q; Xu, S; Jia, F; Wu, W; Picozzi, S; Pyatakov, AP; Reimers, JR; Ren, W |
| 2015-11-10 | A priori calculations of the free energy of formation from solution of polymorphic self-Assembled monolayers | Reimers, JR; Panduwinata, D; Visser, J; Chin, Y; Tang, C; Goerigk, L; Ford, MJ; Sintic, M; Sum, TJ; Coenen, MJJ; Hendriksen, BLM; Elemans, JAAW; Hush, NS; Crossley, MJ |
| 2016-05-02 | Problems, successes and challenges for the application of dispersion-corrected density-functional theory combined with dispersion-based implicit solvent models to large-scale hydrophobic self-assembly and polymorphism | Reimers, JR; Ford, MJ; Goerigk, L |
| 2016-01-01 | Putting David Craig's legacy to work in nanotechnology and biotechnology | Reimers, JR |
| 2017-01-01 | Q | Zheng, M; Reimers, JR; Waller, MP; Afonine, PV |
| 2011-12-28 | Quantum entanglement between electronic and vibrational degrees of freedom in molecules | McKemmish, LK; McKenzie, RH; Hush, NS; Reimers, JR |
| 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 |
