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Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation
American Institute of Physics | 2024| -
Unmasking quantum effects in the surface thermodynamics of fluid nanodrops
American Institute of Physics | 2024| -
Suppression of cracking in drying colloidal suspensions with chain-like particles
American Institute of Physics | 2024| -
Generalized Helmholtz model describes capacitance profiles of ionic liquids and concentrated aqueous electrolytes
American Institute of Physics | 2024| -
Cation doping and oxygen vacancies in the orthorhombic FeNbO4 material for solid oxide fuel cell applications: A density functional theory study
American Institute of Physics | 2024| -
Experimental study of rotational relaxation for D2(1,12) in collisions with N2
American Institute of Physics | 2024| -
Assessing the accuracy of TD-DFT excited-state geometries through optimal tuning with GW energy levels
American Institute of Physics | 2024| -
Computational dielectric spectroscopy on solid–solution interface by time-dependent voltage applied molecular dynamics simulation
American Institute of Physics | 2024| -
Seeing is believing: Correlating optoelectronic functionality with atomic scale imaging of single semiconductor nanocrystals
American Institute of Physics | 2024| -
State-to-state study of non-equilibrium recombination of oxygen and nitrogen molecules
American Institute of Physics | 2024| -
Emerging universality classes in thermally assisted activation of interacting diffusive systems: A perturbative hydrodynamic approach
American Institute of Physics | 2024| -
Effect of water film evaporation on the shale gas transmission in inorganic nanopores under viscosity
American Institute of Physics | 2024| -
An analysis of double-quantum coherence ESR in an N-spin system: Analytical expressions and predictions
American Institute of Physics | 2024| -
Challenges for density functional theory in simulating metal–metal singlet bonding: A case study of dimerized VO2
American Institute of Physics | 2024| -
A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone
American Institute of Physics | 2024| -
Vibronic coupling and ultrafast relaxation dynamics in the first five excited singlet electronic states of bithiophene
American Institute of Physics | 2024| -
Stochastic kinetic theory applied to coarse-grained polymer model
American Institute of Physics | 2024|
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