J. Chem. Phys

Recent Papers/Articles

Microwave spectral taxonomy: A semi-automated combination of chirped-pulse and cavity Fourier-transform microwave spectroscopy

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Key parameters controlling the performance of catalytic motors

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First-principles study on equation of states and electronic structures of shock compressed Ar up to warm dense regime

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A non-additive repulsive contribution in an equation of state: The development for homonuclear square well chains equation of state validated against Monte Carlo simulation

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Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

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Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory

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The electron and spin polarized transport in wide-voltage-ranges through colbaltporphyrin-based molecular junctions

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A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials

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Communication: Resonance reaction in diffusion-influenced bimolecular reactions

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Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the 2? shape resonance

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A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y?Tc and Pt

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Non-adiabatic dynamics of molecules in optical cavities

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