Theoretical and Computational Chemistry articles for Switzerland

Time frame: 1 June 2025 - 30 May 2026

View topic

Count: 21

Article ‘Count’ for Theoretical and Computational Chemistry.

Journal Count Share
2 1.07
Tuning the Wettability of Hydrophobic Metal–Organic Frameworks by Linker-Doping 0.07
Direct Measurement of Protein Pair Interaction Potential 1.00
1 1.00
BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids 1.00
1 0.20
Association of the Ionizable Organic Compound Lamotrigine with Dissolved Humic Acid: Mechanistic Insights and Modeling Optimization 0.20
1 0.20
A Force Field Model for Actinyl Cations AnO22+ and AnO2+ (An = U, Np, Pu) Comparable with the AMOEBA Polarizable Force Field 0.20
4 0.65
A Conceptual Framework for the Crystallizability of Organic Compounds 0.07
Bumps on the Road: The Way to Clean Relaxation Dispersion Magic-Angle Spinning NMR 0.14
Rethinking the Excited-State Redox Properties of Iron(III) Complexes for LMCT Photoredox Catalysis 0.33
Quantum Hydrogen Tunneling in an Iridium Dihydride Complex 0.10
1 0.42
Experimental determination of partial charges with electron diffraction 0.42
5 3.77
Transient tertiary structure in intrinsically disordered proteins revealed by multithermal enhanced sampling 0.60
Self-assembly pathways towards floppy colloidal square lattices 0.33
Real-space machine learning of correlation density functionals 1.00
PET-MAD as a lightweight universal interatomic potential for advanced materials modeling 1.00
Attosecond X-ray spectroscopy reveals the competing stochastic and ballistic dynamics of a bifurcating Jahn–Teller dissociation 0.83
1 0.67
Third-order strong-coupling impurity solver for real-frequency dynamical mean field theory: Accurate spectral functions for antiferromagnetic and photodoped states 0.67
1 0.75
Time-Dependent Neural Galerkin Method for Quantum Dynamics 0.75
1 0.29
Accurate density functional theory for noncovalent interactions in charged systems 0.29
3 1.80
Periodic Hirshfeld Atom Refinement 0.60
Construction of Complete Phase Diagrams for Protein Liquid–Liquid Phase Separation by In Situ Raman Microspectroscopy 1.00
Attenuating Multispin Contributions during Selective Proton–Proton Distance Measurements in Magic Angle Spinning NMR 0.20

Numerical information only (in the tables above) is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International.