Macromolecular Entropy Can Be Accurately Computed from Force
- 期刊名称Journal of Chemical Theory and Computation
- 作者Hensen, Ulf; Gräter, Frauke; Henchman, Richard H.
- 卷第10卷
- 期第11期
- 印刷ISSN1549-9618
- 电子ISSN1549-9626
- 文件大小884.45KB
- 发表时间2014-11-11
- DOI10.1021/ct500684w
- 页码4777-4781
Synthesis, solution studies and structural characterisation of complexes of a mixed oxa–aza macrocycle bearing nitrile pendant armsLorenzo Tei; Alexander J Blake; Andrea Bencini; Barbara Valtancoli; Claire Wilson; Martin Schröder · 2002
Synthesis, solution studies and structural characterisation of complexes of a mixed oxa–aza macrocycle bearing pendant amino armsTei, Lorenzo; Blake, Alexander J.; Bencini, Andrea; Valtancoli, Barbara; Wilson, Claire; Schröder, Martin · Journal of the Chemical Society, Dalton Transactions · 2000
Nitrile functionalised pendant-arm derivatives of aza- and mixed donor macrocyclic ligands as new building blocks for inorganic crystal engineeringTei, Lorenzo; Blake, Alexander J.; Cooke, Paul A.; Caltagirone, Claudia; Demartin, Francesco; Lippolis, Vito; Morale, Francesca; Wilson, Claire; Schröder, Martin · Journal of the Chemical Society, Dalton Transactions · 2002
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Methanolysis of nitrile-functionalised pendant arm derivatives of 1,4,7-triazacyclononane upon coordination to CuIIElectronic supplementary information (ESI) available: frozen solution EPR (77 K) spectra for [Cu(1)](BF4)2 and [Cu(2)](BF4)2·H2O (Fig. S1) and [Cu(L2)Cl2] (Fig. S2) in CH3CN–DMF (9 ∶ 1) solutions. Modelling of the disorder in [Cu(1)](BF4)2 and [Cu(2)](BF4)2·H2O. See http://www.rsc.org/suppdata/dt/b2/b209091k/Tei, Lorenzo; Blake, Alexander J.; Lippolis, Vito; Wilson, Claire; Schröder, Martin · Dalton Transactions · 2003
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