A Nexus between Theory and Experiment: Non-Empirical Quantum Mechanical Computational Methodology Applied to Cucurbit[n]uril⋅Guest Binding Interactions

Jiří Hostaš, David Sigwalt, Marina Šekutor, Haresh Ajani, Matúš Dubecký, Jan Řezáč, Peter Y. Zavalij, Liping Cao, Christian Wohlschlager, Kata Mlinarić-Majerski, Lyle Isaacs, Robert Glaser, Pavel Hobza

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28 Scopus citations

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Chemistry