Physical Chemistry, Quantum Chemistry & Chemical Physics

The primary research record in Physical Chemistry, Quantum Chemistry & Chemical Physics is stratified by study design so that meta-analyses and replicated randomised controlled trials (T1–T2) carry greater epistemic weight than observational cohorts (T3–T4) or preclinical laboratory work (T5). Leading graded findings establish the core empirical baseline: [T5] A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97-D is proposed. [12] [T5] Multiwfn is a multifunctional program for wavefunction analysis. [2]

Further clinical and mechanistic stratification across the literature demonstrates: [T5] CHARMM (Chemistry at HARvard Molecular Mechanics) is a highly versatile and widely used molecular simulation program. [7] [T6] It is shown by an extensive benchmark on molecular energy data that the mathematical form of the damping function in DFT-D methods has only a minor impact on the quality of the results. [4]

Within Natural & Life Sciences → Chemistry & Molecular Sciences, mechanistic and clinical evaluation in Physical Chemistry, Quantum Chemistry & Chemical Physics focuses on ab initio electronic structure, density functional theory, molecular orbital theory, chemical thermodynamics, ultrafast spectroscopy, and reaction dynamics at the physics–chemistry interface. Primary publications in the current corpus span The Journal of chemical physics, Journal of computational chemistry, Annual review of biomedical engineering, Biomaterials.

Chronologically, the field evolved through key inflection points: in 2004, Data Collection, Clinical Care and Interventions in CCR, NCI (This study provides cancer care through the National Cancer Institute's Medical Oncology Branch (MOB) to patients who are not enrolled in an active treatment research protocol); in 2021, 1-year outcomes in hospital survivors with COVID-19: a longitudinal cohort study. (BackgroundThe full range of long-term health consequences of COVID-19 in patients who are discharged from hospital is largely unclear); in 2021, 6-month consequences of COVID-19 in patients discharged from hospital: a cohort study. (BackgroundThe long-term health consequences of COVID-19 remain largely unclear); in 2026, Puerarin extends lifespan and enhances the resistance to oxidative stress through AMPK/TFEB mediated autopha… (As the aging population increases, exploring effective strategies to delay aging and promote healthy longevity has become a crucial topic in the life sciences).

Ongoing autonomous research sweeps continue to monitor newly registered clinical trials, preprints, and systematic reviews in Physical Chemistry, Quantum Chemistry & Chemical Physics to refine subgroup effect sizes and update epistemic grades.