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Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in Macromolecules
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DFT study on the propagation kinetics of free-radical polymerization of alpha–substituted acrylates
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Using elementary reactions to model growth processes of polyaromatic hydrocarbons under pyrolysis conditions of light feedstocks
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Vibrational modes in partially optimized molecular systems
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Group additive values for the gas phase standard enthalpy of formation of hydrocarbons and hydrocarbon radicals