Publicacións nas que colabora con EMILIO MARTINEZ NUÑEZ (33)

2024

  1. Effect of temperature on the gas-phase reaction of CH3CN with OH radicals: experimental (T = 11.7-177.5 K) and computational (T = 10-400 K) kinetic study

    Physical Chemistry Chemical Physics, Vol. 26, Núm. 4, pp. 3632-3646

2023

  1. Gas-phase formation of glycolonitrile in the interstellar medium

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 31, pp. 20988-20996

2022

  1. Reaction of OH radicals with CH3NH2 in the gas phase: experimental (11.7-177.5 K) and computed rate coefficients (10-1000 K)

    Physical chemistry chemical physics : PCCP, Vol. 24, Núm. 38, pp. 23593-23601

2018

  1. Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals

    Journal of Physical Chemistry A, Vol. 122, Núm. 21, pp. 4790-4800

  2. Reply to the 'Comment on "methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature"' by D. Heard, R. Shannon, J. Gomez Martin, R. Caravan, M. Blitz, J. Plane, M. Antiñolo, M. Agundez, E. Jimenez, B. Ballesteros, A. Canosa, G. El Dib, J. Albaladejo and J. Cernicharo,: Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04561A

    Physical Chemistry Chemical Physics, Vol. 20, Núm. 12, pp. 8355-8357

2017

  1. An automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis

    Chemical Science, Vol. 8, Núm. 5, pp. 3843-3851

2016

  1. Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 32, pp. 22712-22718

2015

  1. DFT and Kinetic Monte Carlo Study of TMS-Substituted Ruthenium Vinyl Carbenes: Key Intermediates for Stereoselective Cyclizations

    ACS Catalysis, Vol. 5, Núm. 11, pp. 6255-6262

2014

  1. Unraveling the factors that control soft landing of small silyl ions on fluorinated self-assembled monolayers

    Journal of Physical Chemistry C, Vol. 118, Núm. 19, pp. 10159-10169

2011

  1. Erratum: Direct-dynamics VTST study of the [1,7] hydrogen shift in 7-methylocta-1,3-(Z),5(Z)-triene. A model system for the hydrogen transfer reaction in previtamin D3 (Journal of Physical Chemistry A (2007) 111 (719-725) DOI: 10.1021/jp0665269)

    Journal of Physical Chemistry A

2007

  1. Direct-dynamics VTST study of the [1,7] hydrogen shift in 7-methylocta-1,3(Z),5(Z)-triene. A model system for the hydrogen transfer reaction in previtamin D3

    Journal of Physical Chemistry A, Vol. 111, Núm. 4, pp. 719-725

  2. Hydrogen transfer vs proton transfer in 7-hydroxy-quinoline·(NH 3)3: A CASSCF/ CASPT2 study

    Journal of Physical Chemistry A

2005

  1. Quasiclassical dynamics simulation of the collision-induced dissociation of Cr (CO)6 + with Xe

    Journal of Chemical Physics, Vol. 123, Núm. 15

  2. Quasiclassical trajectory study of the F + CH4 reaction dynamics on a dual-level interpolated potential energy surface

    Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8459-8470

  3. Trajectory dynamics study of the Ar + CH4 dissociation reaction at high temperatures: The importance of zero-point-energy effects

    Journal of Physical Chemistry A, Vol. 109, Núm. 24, pp. 5415-5423

2004

  1. New interpretation of ground- and excited-state tunneling splitting in 2-pyridone·2-hydroxypyridine

    Chemical Physics Letters, Vol. 386, Núm. 4-6, pp. 396-402

2003

  1. A Direct Classical Trajectory Study of HCl Elimination from the 193 nm Photodissociation of Vinyl Chloride

    Journal of Physical Chemistry A, Vol. 107, Núm. 38, pp. 7611-7618

  2. A direct DFT dynamics study of the photodissociation of triplet acetaldehyde

    Chemical Physics Letters, Vol. 375, Núm. 5-6, pp. 591-597

  3. A direct classical trajectory study of the acetone photodissociation on the triplet surface

    Journal of Chemical Physics, Vol. 119, Núm. 20, pp. 10618-10625

  4. Direct dynamics study of the photodissociation of triplet propanal at threshold

    Renewable and Sustainable Energy Reviews, Vol. 7, Núm. 6, pp. 37-44