Relativistic coupled-cluster simulation of the kinetics of the hydrolysis of uranium hexafluoride
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Modeling bicarbonate formation in an alkaline solution with multi-level quantum mechanics/molecular dynamics simulations
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Kinetic theory of diffusion in a channel of varying cross section
.
Electron interaction with NFx (x = 1–3)
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Bidirectional path-based non-equilibrium simulations for binding free energy
.
Understanding the surface tension reduction of the water/air interface due to the synergistic effect of the SDS-CTAB mixture: A molecular dynamics simulation study
.
Theoretical investigation of the nitro-and amino-substituted 4-(1H-1,2,4-triazole-1-yl) pyrimidine
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Theoretical investigations on the nature of interactions in ions (Li+, Na+, Be2+, Mg2+)-water clusters in the gas phase
.
Complexation between inorganic-fullerene B12N12 nanocage cluster and Schiff’s bases of trans-2-hexenal with cytosine and L-leucine
.
Recent advances in relativistic excitation of atomic hydrogen
.