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The Journal of Physical Chemistry. A|December 1, 2017
Adaptive Finite Temperature String Method in Collective VariablesKirill Zinovjev, Iñaki TuñónThe Journal of Physical Chemistry. A|December 21, 2017
Topological Evidence of Previously Overlooked Ni+1-H···Ni H-Bonds and Their Contribution to Protein Structure and StabilityMatthew Holcomb, Ramkrishna Adhikary, Jörg Zimmermann, et al.The Journal of Physical Chemistry. A|December 21, 2017
Theoretical Study of pKa Values for Trivalent Rare-Earth Metal Cations in Aqueous SolutionDonghai Yu, Ruobing Du, Ji-Chang Xiao, et al.The Journal of Physical Chemistry. A|December 23, 2017
Predicting the Open-Shell Character of Polycyclic Hydrocarbons in Terms of Clar SextetsGeorges Trinquier, Jean-Paul MalrieuThe Journal of Physical Chemistry. A|December 14, 2017
Characterization of the B-Center Defect in Diamond through the Vibrational Spectrum: A Quantum-Mechanical ApproachSimone Salustro, Anna Maria Ferrari, Francesco Silvio Gentile, et al.The Journal of Physical Chemistry. A|December 14, 2017
Effective Anisotropic Interactions in Spin Pairs Containing High-Spin Ions with Large Zero-Field SplittingNicolás I NeumanThe Journal of Physical Chemistry. A|December 12, 2017
Structural Trends in Monoboronyl Compounds: Analysis of the Interaction of Second-Row Elements with BOPilar Redondo, Víctor M Rayón, Carmen Barrientos, et al.The Journal of Physical Chemistry. A|December 13, 2017
Formation of C9H2 and C10H2 from Reactions C3H + C6H2 and C4H + C6H2Yi-Lun Sun, Wen-Jian Huang, Shih-Huang LeeThe Journal of Physical Chemistry. A|December 5, 2017
Simple Quantum Dynamics with ThermalizationThomas L C JansenThe Journal of Physical Chemistry. A|December 21, 2017
Generation and Stability of the gem-Diol Forms in Imidazole Derivatives Containing Carbonyl Groups. Solid-State NMR and Single-Crystal X-ray Diffraction StudiesAyelén Florencia Crespi, Agustín Jesús Byrne, Daniel Vega, et al.Pageof 2,780