Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments
Authors (first, second and last of 8)
Collection
QUITEL 2016
Guest edited by E. Laura Coitino and Margot Paulino
Articles (16 in this collection)
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Band-gap engineering of halogenated silicon nanowires through molecular do**
Authors (first, second and last of 6)
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Computational study of vicarious nucleophilic substitution reactions
Authors (first, second and last of 4)
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New consensus multivariate models based on PLS and ANN studies of sigma-1 receptor antagonists
Authors (first, second and last of 9)
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DFT study of anisotropy effects on the electronic properties of diamond nanowires with nitrogen-vacancy center
Authors (first, second and last of 5)
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N\(_{3}^{-}\) azide anion confined inside finite-size carbon nanotubes
Authors (first, second and last of 4)
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Tetrahydroisoquinolines functionalized with carbamates as selective ligands of D2 dopamine receptor
Authors (first, second and last of 11)
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Non-deformed singular and non-singular exponential-type potentials
Authors (first, second and last of 4)
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Theoretical analysis of C–F bond cleavage mediated by cob[I]alamin-based structures
Authors (first, second and last of 6)
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Insights into the self-assembly steps of cyanuric acid toward rosette motifs: a DFT study
Authors (first, second and last of 4)
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A DFT study of hydrogen and methane activation by B(C6F5)3/P(t-Bu)3 and Al(C6F5)3/P(t-Bu)3 frustrated Lewis pairs
Authors (first, second and last of 6)
