[ASAP] On Aromaticity of the Aromatic α‑Amino Acids and Tuning of the NICS Indices to Find the Aromaticity Order

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c00346

59m

[ASAP] Structures of Small Platinum Cluster Anions Pt_{<italic toggle="yes">n</italic>}^–: Experiment and Theory

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c02142

59m

[ASAP] Conformational Energy Benchmark for Longer <italic toggle="yes">n</italic>‑Alkane Chains

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c02439

5h

[ASAP] Rational Design of Endohedral Superhalogens without Using Metal Cations and Electron Counting Rules

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c02530

5h

[ASAP] Observation of Selectively Populated Monohalide Excited States from the Reactions of Group 3 Metal (Sc, Y, and La) Monomers and Dimers with Halogen-Containing Molecules

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c01779

1d

[ASAP] Quasiclassical Trajectory Study of the Si + SH Reaction on an Accurate Double Many-Body Expansion Potential Energy Surface

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c01633

1d

[ASAP] Theoretical Study of the Thermolysis Reaction and Chemiexcitation of Coelenterazine Dioxetanes

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c01835

1d

[ASAP] Construction of the Largest Metal-Centered Double-Ring Tubular Boron Clusters Based on Actinide Metal Doping

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c00563

1d

[ASAP] Modeling the Adsorption of Polycyclic Aromatic Hydrocarbons on Graphynes: An Improved Lennard-Jones Formulation

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c01777

1d

[ASAP] Excited-State Properties of Some Thermally Activated Delayed Fluorescence Emitters: Quest for an Accurate and Reliable Computational Method

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c01463

1d