FluProCAD: a computational screening workflow for fluorescent protein variants
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The effect of hydrogen bonding on two-photon absorption in pyrimidine in water clusters
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Dynamics studies of H atom collision with KH molecule
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First-principles investigations of structural, elastic, electronic, and optical properties of silicon-doped TiO2 for photovoltaic applications
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Effect of electronic nature of substituent position on the linear and nonlinear optical and physical properties of some quinoline derivatives. A computational study
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Effect of electronic nature of substituent position on the linear and nonlinear optical and physical properties of some quinoline derivatives. A computational study
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A high-order accurate moving mesh finite element method for the radial Kohn–Sham equation
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A high-order accurate moving mesh finite element method for the radial Kohn–Sham equation
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Finite-size effects of the excess entropy computed from integrating the radial distribution function
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Finite-size effects of the excess entropy computed from integrating the radial distribution function
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