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The Journal of Physical Chemistry. A|December 17, 2016
Computational Modeling of the Catalytic Cycle of Glutathione Peroxidase NanomimicRamesh Kheirabadi, Mohammad Izadyar
The Journal of Physical Chemistry. A|December 15, 2016
Does Alkaline-Earth-Metal-Based Superalkali Exist?Jia-Yuan Liu, Yong-Jie Xi, Ying Li, et al.
The Journal of Physical Chemistry. A|December 15, 2016
Unconventional O-H···C Hydrogen Bonding and Effects of Conformational Changes on Infrared Spectroscopy of o-Cresol in SolutionsXiangai Yuan, Dong Zheng, Xizhang Wang, et al.
The Journal of Physical Chemistry. A|December 15, 2016
Numerical Estimation of the Pseudo-Jahn-Teller Effect Using Nonadiabatic Coupling Integrals in Monocyclic and Bicyclic Conjugated MoleculesShiro Koseki, Azumao Toyota, Takashi Muramatsu, et al.
The Journal of Physical Chemistry. A|September 28, 2016
Millimeter-Wave Spectroscopy, X-ray Crystal Structure, and Quantum Chemical Studies of Diketene: Resolving Ambiguities Concerning the Structure of the Ketene DimerVanessa L Orr, Brian J Esselman, P Matisha Dorman, et al.
The Journal of Physical Chemistry. A|January 31, 2008
Unraveling the dynamics of the C(3P,1D) + C2H2 reactions by the crossed molecular beam scattering techniqueFrancesca Leonori, Raffaele Petrucci, Enrico Segoloni, et al.
The Journal of Physical Chemistry. A|February 1, 2008
Photoelectron spectroscopy and Ab initio study of the structure and bonding of Al7N- and Al7NBoris B Averkiev, Seth Call, Alexander I Boldyrev, et al.
The Journal of Physical Chemistry. A|February 1, 2008
Simple STM tip functionalization for rapid DNA sequencing: an Ab initio Green's function studyIlya Yanov, J J Palacios, Glake Hill
The Journal of Physical Chemistry. A|February 2, 2008
Comparative quantum mechanics/molecular mechanics (QM/MM) and density functional theory calculations on the oxo-iron species of taurine/alpha-ketoglutarate dioxygenaseElizabeth Godfrey, Cristina S Porro, Sam P de Visser
The Journal of Physical Chemistry. A|December 19, 2007
Approach to the atmospheric chemistry of methyl nitrate and methylperoxy nitrite. Chemical mechanisms of their formation and decomposition reactions in the gas phaseJuan F Arenas, Francisco J Avila, Juan C Otero, et al.
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