[ASAP] Halogen-Doping Effect on the Delithiation and Charge Transfer of (Li₂S)₁₀ Cluster

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c05767

1d

[ASAP] Modulating Excited Charge-Transfer States of G-Quartet Self-Assemblies by Earth Alkaline Cations and Hydration

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c05022

1d

[ASAP] Magnetic Circular Dichroism of <italic toggle="yes">meso</italic>-Phenyl-Substituted Pd-Octaethylporphyrins

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c06669

1d

[ASAP] Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c05769

1d

[ASAP] Vibrational Spectroscopy of Intermediates and C–H Activation Products of Sequential Zr⁺ Reactions with CH₄

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c07027

1d

[ASAP] Unimolecular Dissociation of γ-Ketohydroperoxide via Direct Chemical Dynamics Simulations

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c06211

1d

[ASAP] Acetonyl Peroxy and Hydro Peroxy Self- and Cross-Reactions: Kinetics, Mechanism, and Chaperone Enhancement from the Perspective of the Hydroxyl Radical Product

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c06220

1d

[ASAP] Diboron- and Diaza-Doped Anthracenes and Phenanthrenes: Their Electronic Structures for Being Singlet Fission Chromophores

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c06915

1d

[ASAP] F₂BMF (M = V, Nb, and Ta) and FBMF₂ (M = Nb and Ta): A Combined Matrix Isolation Infrared Spectroscopic and Quantum Chemical Investigation

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c05132

1d

[ASAP] Evaluation of Local Hybrid Functionals for Electric Properties: Dipole Moments and Static and Dynamic Polarizabilities

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.0c06939

1d