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The Journal of Physical Chemistry. A|October 11, 2016
Effect of Lone Pairs on Molecular Resonance EnergyCroix J Laconsay, Andrew M James, John Morrison GalbraithThe Journal of Physical Chemistry. A|October 21, 2016
Modifications of Structure and Intermolecular Potential of a Canonical Glassformer: Dynamics Changing with Dipole-Dipole InteractionAgnieszka Jedrzejowska, K L Ngai, M PaluchThe Journal of Physical Chemistry. A|November 4, 2016
Full-Dimensional Potential Energy and Dipole Moment Surfaces of GeH4 Molecule and Accurate First-Principle Rotationally Resolved Intensity Predictions in the InfraredA V Nikitin, M Rey, A Rodina, et al.The Journal of Physical Chemistry. A|December 10, 2016
Can a Topological Approach Predict Spin-Symmetry Breaking in Conjugated Hydrocarbons?Jean-Paul Malrieu, Georges TrinquierThe Journal of Physical Chemistry. A|December 14, 2016
Identification of Second Shell Coordination in Transition Metal Species Using Theoretical XANES: Example of Ti-O-(C, Si, Ge) ComplexesCharles S Spanjers, Pascal Guillo, T Don Tilley, et al.The Journal of Physical Chemistry. A|December 10, 2016
Theoretical Study on the Photoelectron Spectra of Ln(COT)2-: Lanthanide Dependence of the Metal-Ligand InteractionErika Nakajo, Tomohide Masuda, Satoshi YabushitaThe Journal of Physical Chemistry. A|December 10, 2016
Generalized Energy-Based Fragmentation Approach for Localized Excited States of Large SystemsWei Li, Yunzhi Li, Ruochen Lin, et al.The Journal of Physical Chemistry. A|December 10, 2016
Theoretical Study of Cu/Mg Core-shell Nanocluster FormationRobert J Buszek, Claron J Ridge, Samuel B Emery, et al.The Journal of Physical Chemistry. A|December 10, 2016
Stepwise Internal Energy Change of Protonated Methanol Clusters By Using the Inert Gas TaggingTakuto Shimamori, Jer-Lai Kuo, Asuka FujiiThe Journal of Physical Chemistry. A|December 10, 2016
Electronic Structure of Neutral and Anionic Scandium Disilicon ScSi2-/0 Clusters and the Related Anion Photoelectron SpectrumLe Nhan Pham, Minh Tho NguyenPageof 2,780