J. Chem. Phys

Recent Papers/Articles

High pressure dielectric studies on the structural and orientational glass

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A theoretical simulation of the resonant Raman spectroscopy of the H2O?Cl2 and H2O?Br2 halogen-bonded complexes

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Complex multireference configuration interaction calculations for the K-vacancy Auger states of Nq+ (q = 2-5) ions

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Pattern formation in thin films of polymer solutions: Theory and simulations

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Two-pulse control over double ionization pathways in CO2

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A two-layer approach to the coupled coherent states method

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New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy conservation

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Growth of metalloid aluminum clusters on graphene vacancies

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Variational tensor approach for approximating the rare-event kinetics of macromolecular systems

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Critical analysis of fragment-orbital DFT schemes for the calculation of electronic coupling values

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Distribution of tunnelling times for quantum electron transport

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