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The Journal of Physical Chemistry. A|November 7, 2018
Application of the Systematic Molecular Fragmentation by Annihilation Method to ab Initio NMR Chemical Shift CalculationsRika Kobayashi, Roger D Amos, David M Reid, et al.The Journal of Physical Chemistry. A|November 7, 2018
Dispersion-Corrected Modified Embedded-Atom Method Bond Order Interatomic Potential for SulfurDoyl Dickel, Steven R Gwaltney, Sungkwang Mun, et al.The Journal of Physical Chemistry. A|November 9, 2018
Barriers for Extrusion of a Guest from the Interior Binding Cavity of a Host: Gas Phase Experimental and Computational Results for Ion-Capped Decamethylcucurbit[5]uril ComplexesSamuel M Hickenlooper, Conner C Harper, Brigham L Pope, et al.The Journal of Physical Chemistry. A|April 18, 2017
An Efficient Method Based on Lattice Construction and the Genetic Algorithm for Optimization of Large Lennard-Jones ClustersYuhong Xiang, Haiyan Jiang, Wensheng Cai, et al.The Journal of Physical Chemistry. A|April 18, 2017
Furfural: The Unimolecular Dissociative Photoionization Mechanism of the Simplest Furanic AldehydeMatthew Winfough, Krisztina Voronova, Giel Muller, et al.The Journal of Physical Chemistry. A|April 19, 2017
Structure, Stability, and Electronic and Magnetic Properties of VGen (n = 1-19) ClustersC Siouani, S Mahtout, S Safer, et al.The Journal of Physical Chemistry. A|April 20, 2017
NgMCp+: Noble Gas Bound Half-Sandwich Complexes (Ng = He-Rn, M = Be-Ba, and Cp = η5-C5H5)Ranajit Saha, Sudip Pan, Pratim K ChattarajThe Journal of Physical Chemistry. A|April 20, 2017
Does a Nitrogen Lone Pair Lead to Two Centered-Three Electron (2c-3e) Interactions in Pyridyl Radical Isomers?Chitranjan Sah, Lilit Jacob, Mayank Saraswat, et al.The Journal of Physical Chemistry. A|October 22, 2016
Design, Synthesis, and Structural Characterization of a Bisantimony(III) Compound for Anion Binding and the Density Functional Theory Evaluation of Halide Binding through Antimony Secondary Bonding InteractionsJinchun Qiu, Daniel K Unruh, Anthony F CozzolinoThe Journal of Physical Chemistry. A|October 27, 2016
Interaction of Helium Rydberg State Molecules with Dense HeliumNelly Bonifaci, Zhiling Li, Jussi Eloranta, et al.Pageof 2,780