Molecular Dynamics Simulations of Energetic Solids
An Ab Initio Molecular Orbital Theory and Density Functional Theory (DFT) Study of Conformers and Rotamers of 4-Substituted (Methyl, Hydroxymethyl, Methanoyl, Ethanoyl, Cyano, Fluoro, Chloro, Bromo, Acetoxy) Tetrahydro-2H-thiopyran-1,1-dioxides
cis-Diamminodichloronickel and Its Interaction with Guanine and Guanine–Cytosine Base Pair
Theoretical Evidence of Aromaticity in X3 − (X = B, Al, Ga) Species
A Computational Study of Conformers of 2-Thiaoxacyclohexane (1,2-Oxathiane)
Electrophoretic Deposition of Chain Macromolecules
Singlet Nitric Oxide Dimer Revisited
Geometric and Electronic Structure of WSi N (N = 1–6, 12) Clusters
Exhaustive Enumeration of the Effects of Point Charge Mutations on the Electrostatically Driven Association of Hemoglobin Subunits, Using Weighted-Ensemble Brownian Dynamics Simulations
Model Calculations of Radiation-Induced Damage in 1-Methyluracil:9-Ethyladenine
A History of Chemistry (Povijest Kemije, in Croatian)