Theoretical Chemistry Accounts
ISSN:
1432-881X
Country:
Germany
ES-FAC
ES-FAC C
Eurascience Journal Classification System
📄 Articles published in this journal
- Occupancies vs embeddings: internal representations of Ab Initio and graph probabilistic models. 2026
- The photophysics of $$^{\textrm{tzSe}}$$A: a sulfur-to-selenium isothiazolo-adenosine ($$^{\textrm{tz}}$$A) nucleobase analogue 2026
- Theoretical hole transportation properties of C$$_{80}$$-I$$_h$$ clusterfullerene dopants into HTL in perovskite solar cells 2025
- Inorganic clusters of lanthanide (2+) ions in 4fN–15d configurations 2025
- QSAR and machine learning-driven proposition of novel 1,3,4-oxadiazoles and structure-based studies of their antibacterial activities against Xanthomonas oryzae 2025
- Stark-enhanced Frenkel exciton dissociation in plant-derived quercetin–Al–TiO2 hybrid photocatalysts for accelerated environmental remediation 2025
- A correlation between the additive and quantum-chemically obtained polarizability values of multipincer fullerenes 2025
- Positional effects of nitro and nitramine groups in cyclic energetic molecules: a DFT-based stability and performance analysis 2025
- Thermodynamics and structure of 2D aliphatic alcohol monolayers on graphene within semi-empirical quantum chemical approach 2025
- Testing equivalent formulations of linear and nonlinear frequency-dependent electric-dipole polarizabilities 2025