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1. Reviews of current computational methods applied in material science
2. Reviews of practical applications of modelling of structures and properties of materials
3. Cluster and periodical approaches
Reaction Network Analysis. The Kinetics and Mechanism of Water-Gas-Shift Reaction on Cu(111).
Clusters, the Intermediate State of Matter.
Computer Simulation of Fullerenes and Fullerites.
Theoretical Approaches to the Design of Functional Nanomaterials.
Methods and Implementation of Robust, High-Precision Gaussian Basis DFT Calculations for Periodic Systems: The GTOFF Code.
Many-Body Luminescence from Highly Excited
Spin-Polarised Surfaces: Current State of Density Functional Theory Investigations.
Simulating the Structure and Reactivity of Oxide Surfaces from First Principles.
A Theory-Guided Design of Bimetallic Nanoparticle Catalysts for Fuel Cell Applications.
Supported Metal Species and Adsorption Complexes on Metal Oxides and in Zeolites: Density Functional Cluster Model Studies.