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The Journal of Physical Chemistry. A|April 8, 2022
Implementation and Optimization of the Embedded Cluster Reference Interaction Site Model with Atomic ChargesÁdám Ganyecz, Mihály Kállay
The Journal of Physical Chemistry. A|April 8, 2022
Complexes of Alkaline and Ammonium Cations with Dopamine and Eumelanin Precursors: Dissecting the Role of Noncovalent Cation-π and Cation-Lone Pair (σ-Type) InteractionsAlessandro Ferretti, Giacomo Prampolini
The Journal of Physical Chemistry. A|April 7, 2022
Toward Density-Based and Simultaneous Description of Chemical Bonding and Noncovalent Interactions with Pauli EnergyShujing Zhong, Xin He, Siyuan Liu, et al.
The Journal of Physical Chemistry. A|April 28, 2022
Benchmark Ab Initio Characterization of the Abstraction and Substitution Pathways of the Cl + CH3CN ReactionPetra Tóth, Tímea Szűcs, Gábor Czakó
The Journal of Physical Chemistry. A|July 27, 2022
Icy Grain Mantle Surface Astrochemistry of MgNC: The Emergence of Metal Ion Catalysis Studied via Model Ice Cluster CalculationsDavid E Woon
The Journal of Physical Chemistry. A|July 19, 2022
Relativistic Segmented Correlation Consistent Basis Sets for the 5p and 6p ElementsGeorge Schoendorff, Jerry A Boatz
The Journal of Physical Chemistry. A|July 19, 2022
Fullerenes Pose a Strain on Hybrid Density Functional TheoryAmir Karton
The Journal of Physical Chemistry. A|July 29, 2022
Low-Temperature Infrared Spectra and Ultraviolet-Induced Rotamerization of 5-ChlorosalicylaldehydeAnna Luiza B Brito, José P L Roque, İsa Sıdır, et al.
The Journal of Physical Chemistry. A|April 14, 2022
Odd-Number Cyclo[n]Carbons Sustaining Alternating AromaticityGlib V Baryshnikov, Rashid R Valiev, Lenara I Valiulina, et al.
The Journal of Physical Chemistry. A|May 25, 2010
Crossed-beam scattering studies of electron-transfer processes between the dication CO2(2+) and neutral CO2: electronic states of reactants and products involvedJan Zabka, Claire L Ricketts, Detlef Schröder, et al.
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