Items where authors include "Makhov, DV"

Article

Makhov, DV orcid.org/0000-0003-1795-3820, Adeyemi, S, Cowperthwaite, M et al. (1 more author) (2022) Simulation of the dynamics of vibrationally mediated photodissociation for deuterated pyrrole. Journal of Physics Communications, 6 (2). 025001. ISSN 2399-6528

Freixas, VM, White, AJ, Nelson, T et al. (5 more authors) (2021) Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence. Journal of Physical Chemistry Letters, 12 (11). pp. 2970-2982. ISSN 1948-7185

Makhov, DV orcid.org/0000-0003-1795-3820 and Shalashilin, DV orcid.org/0000-0001-6104-1277 (2021) Simulation of the effect of vibrational pre-excitation on the dynamics of pyrrole photo-dissociation. The Journal of Chemical Physics, 154 (10). 104119. ISSN 0021-9606

Freixas, VM, Tretiak, S, Makhov, DV et al. (2 more authors) (2020) Vibronic Quantum Beating between Electronic Excited States in a Heterodimer. The Journal of Physical Chemistry B. ISSN 1520-6106

Symonds, CC orcid.org/0000-0001-7952-3805, Makhov, DV, Cole-Filipiak, NC et al. (3 more authors) (2019) Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning. Physical chemistry chemical physics : PCCP, 21 (19). pp. 9987-9995. ISSN 1463-9076

Green, JA orcid.org/0000-0002-5036-3104, Makhov, DV, Cole-Filipiak, NC et al. (3 more authors) (2019) Ultrafast photodissociation dynamics of 2-ethylpyrrole: adding insight to experiment with ab initio multiple cloning. Physical Chemistry Chemical Physics, 21 (7). pp. 3832-3841. ISSN 1463-9076

Makhov, DV and Shalashilin, DV orcid.org/0000-0001-6104-1277 (2018) Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics. Chemical Physics, 515. pp. 46-51. ISSN 0301-0104

Freixas, VM, Fernandez-Alberti, S, Makhov, DV et al. (2 more authors) (2018) An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules. Physical Chemistry Chemical Physics, 20 (26). pp. 17762-17772. ISSN 1463-9076

Makhov, DV, Symonds, C, Fernandez-Alberti, S et al. (1 more author) (2017) Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach. Chemical Physics, 493. pp. 200-218. ISSN 0301-0104

Makhov, DV, Martinez, TJ and Shalashilin, DV (2016) Toward Fully Quantum Modelling of Ultrafast Photodissociation Imaging Experiments. Treating Tunnelling in the Ab Initio Multiple Cloning Approach. Faraday Discussions, 194. pp. 81-94. ISSN 1359-6640

Fernandez-Alberti, S, Makhov, DV, Tretiak, S et al. (1 more author) (2016) Non-Adiabatic Excited State Molecular Dynamics of Phenylene Ethynylene Dendrimer Using Multiconfigurational Ehrenfest Approach. Physical Chemistry Chemical Physics, 2016 (18). pp. 10028-10040. ISSN 1463-9076

Makhov, DV, Saita, K, Martinez, TJ et al. (1 more author) (2015) Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging. Physical Chemistry Chemical Physics, 17 (5). pp. 3316-3325. ISSN 1463-9076

Makhov, DV, Glover, WJ, Martinez, TJ et al. (1 more author) (2014) Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics. Journal of Chemical Physics, 141 (5). 054110. ISSN 0021-9606

Book Section

Shalashilin, D orcid.org/0000-0001-6104-1277 and Makhov, DV (2022) Gaussian wave packet and Coherent State based methods in Chemical Quantum Dynamics. In: Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. Elsevier . ISBN 978-0-12-409547-2