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Mehdi D. Esrafili; Fariba Mohammadian‐Sabet, Enhancement effect of lithium bonding on the strength ofπ-hole interactions in O2S···NCLi···NCX and O2S···CNLi···CNX complexes (X = H, F, CN, OH and CH3).
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Benjamin Schulze; Ulrich S. Schubert, Beyond click chemistry – supramolecular interactions of 1,2,3-triazoles.
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Michael J. Turner; Simon Grabowsky; Dylan Jayatilaka; Mark A. Spackman, Accurate and Efficient Model Energies for Exploring Intermolecular Interactions in Molecular Crystals.
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David Danovich; Philippe C. Hiberty; Wei Wu; Henry S. Rzepa; Sason Shaik, The Nature of the Fourth Bond in the Ground State of C2: The Quadruple Bond Conundrum.
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Changwei Wang; David Danovich; Yirong Mo; Sason Shaik, On The Nature of the Halogen Bond.
Journal of Chemical Theory and Computation 2014,
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Liangyu Guan; Yirong Mo, Electron Transfer in Pnicogen Bonds.
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Shridhar R. Gadre; Sachin D. Yeole; Nityananda Sahu, Quantum Chemical Investigations on Molecular Clusters.
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Israel Fernández; F. Matthias Bickelhaupt; Fernando P. Cossío, Ene‐ene‐yne Reactions: Activation Strain Analysis and the Role of Aromaticity.
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Peifeng Su; Zhen Jiang; Zuochang Chen; Wei Wu, Energy Decomposition Scheme Based on the Generalized Kohn–Sham Scheme.
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Avital Shurki; Étienne Derat; Alexandre Barrozo; Shina Caroline Lynn Kamerlin, How valence bond theory can help you understand your (bio)chemical reaction.
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Xun Chen; Zhenhua Chen; Wei Wu, Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. IV. The automatic implementation of the Hessian based VBSCF method.
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Yirong Mo; Changwei Wang; Liangyu Guan; Benoı̂t Braı̈da; Philippe C. Hiberty; Wei Wu, On the Nature of Blueshifting Hydrogen Bonds.
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Valérie Vallet; Michel Masella, Benchmark binding energies of ammonium and alkyl-ammonium ions interacting with water. Are ammonium–water hydrogen bonds strong?.
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Qingzhong Li; Xin Guo; Xin Yang; Wenzuo Li; Jianbo Cheng; Hai‐Bei Li, A σ-hole interaction with radical species as electron donors: does single-electron tetrel bonding exist?.
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