Valence shell electronically excited states of 1-phenylimidazole and 1-benzylimidazole
.
A correct, reversible Trotter splitting for the evolution operator in molecular dynamics simulations of molecular systems with constraints
.
Interaction of HIV-1 Gag matrix domain with plasma membrane from coarse-grained molecular dynamics simulations
.
Induced charges in a Thomas–Fermi metal: insights from molecular simulations
.
Foreword to the Festschrift in honour of Professor Attila G. Császár: molecules (always) in motion
.
Harnessing chromatic dispersion for blood cancer detection using photonic crystal fibre sensors
.
Global monopole effects on exact s-state solution under trigonometric Pöschl–Teller potential
.
Theoretical study of S + SH reaction on its ground state HS2(X2A″) potential energy surface
.
Theoretical predictions of properties and adsorption behaviour of a superheavy element Ts and its lighter homolog At, and of their various gas-phase compounds, on hydroxylated quartz surfaces from periodic DFT calculations
.
Determining pathways of minimum work: simple examples
.