[ASAP] The Raman Active Vibrations of Flavone and Quercetin: The Impact of Conformers and Hydrogen Bonding on Fingerprint Modes

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c06718

20h

[ASAP] Electronic State Spectroscopy of Nitromethane and Nitroethane

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c08023

2d

[ASAP] Exact Two-Component TDDFT with Simple Two-Electron Picture-Change Corrections: X‑ray Absorption Spectra Near L- and M‑Edges of Four-Component Quality at Two-Component Cost

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c08307

3d

[ASAP] Investigation of Methylcyclopentadiene Reactivity: Abstraction Reactions and Methylcyclopentadienyl Radical Unimolecular Decomposition

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c08028

3d

[ASAP] Particle-Breaking Hartree–Fock Theory for Open Molecular Systems

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c07686

4d

[ASAP] Spin–Orbit Couplings of Open-Shell Systems with Restricted Active Space Configuration Interaction

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c08056

4d

[ASAP] Correcting Models with Long-Range Electron Interaction Using Generalized Cusp Conditions

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c08426

4d

[ASAP] Pyridinic Dominance N‑Doped Graphene: A Potential Material for SO₂ Gas Detection

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c06154

4d

[ASAP] Solvation of Manganese(III) Ion in Water and in Ammonia

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c05913

5d

[ASAP] High-Temperature Dissociation of Neopentanol: Shock Tube/Photoionization Mass Spectrometry Studies

The Journal of Physical Chemistry ADOI: 10.1021/acs.jpca.2c07358

5d