Full theoretical protocol for the design of metal-free organic electron donor-spacer-acceptor systems von Duque-Prata, Amílcar, Serpa, Carlos, Caridade, Pedro J. S. B

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Calculation of the rate constant for state-selected recombination of H+O2(nu) as a function of temperature and pressure von Teitelbaum, Heshel, Caridade, Pedro J S B, Varandas, António J C

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Quasiclassical Trajectory Study of the Atmospheric Reaction N(2 D) + NO(X 2Π) → O(1 D) + N2(X 1Σ g +) von Li, Jing, Caridade, Pedro J. S. B, Varandas, António J. C

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Dynamics study of the atmospheric reaction involving vibrationally excited O3 with OH von Zhang, Lei, Luo, Pingya, Zeng, Rong, Caridade, Pedro J. S. B, Varandas, António J. C

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A further look at the Li+HCl→LiCl+H reaction von Yue, Xian-Fang, Fang, Jianjun, Li, Jing, Feng, Hai-Ran, Jiao, Ming-Chun, Caridade, Pedro J.S.B., Varandas, António J.C.

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Performance of Functionals and Basis Sets in Calculating Redox Potentials of Nitrile Alkenes and Aromatic Molecules using Density Functional Theory von Duque‐Prata, Amílcar, Pinto, Tiago B., Serpa, Carlos, Caridade, Pedro J. S. B.

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Photochemistry of 1-Phenyl-4-Allyl-Tetrazol-5-One: A Theoretical Study Contribution towards Mechanism Elucidation von Duque-Prata, Amilcar, Serpa, Carlos, Caridade, Pedro J. S. B.

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Dynamics Study of the O + HO2 Reaction Using Two DMBE Potential Energy Surfaces:  The Role of Vibrational Excitation von Silveira, Dora M, Caridade, Pedro J. S. B, Varandas, António J. C

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Theoretical Evaluation of Fluorinated Resazurin Derivatives for In Vivo Applications von Duque-Prata, Amílcar, Serpa, Carlos, Caridade, Pedro J S B

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Theoretical investigation of vibrational relaxation of highly excited O3 in collisions with HO2 von Zhang, Lei, Luo, Pingya, Guo, Ke, Zeng, Rong, Caridade, Pedro J. S. B., Varandas, António J. C.

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Accurate rate constant and quantum effects for N(2D)+H2 reaction von Varandas, António J.C., Chu, Tian-Shu, Han, Ke-Li, Caridade, Pedro J.S.B.

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Accurate rate constant and quantum effects for N( 2D) + H 2 reaction von Varandas, António J.C., Chu, Tian-Shu, Han, Ke-Li, Caridade, Pedro J.S.B.

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The O + NO(v) Vibrational Relaxation Processes Revisited von Caridade, P. J. S. B, Li, Jing, Mota, V. C, Varandas, A. J. C

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