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Journal of Chemical Theory and Computation|April 18, 2026
Spin-Orbit-Induced Nonadiabatic Dynamics: An Exact Ω RepresentationRyan P Brady, Sergei N YurchenkoJournal of Chemical Theory and Computation|January 3, 2024
Numerical Equivalence of Diabatic and Adiabatic Representations in Diatomic MoleculesRyan P Brady, Charlie Drury, Sergei N Yurchenko, et al.The Journal of Chemical Physics|May 24, 2019
Theoretical rotation-vibration spectroscopy of cis- and trans-diphosphene (P<sub>2</sub>H<sub>2</sub>) and the deuterated species P<sub>2</sub>HDAlec Owens, Sergei N YurchenkoThe Journal of Chemical Physics|July 10, 2015
Automatic differentiation method for numerical construction of the rotational-vibrational Hamiltonian as a power series in the curvilinear internal coordinates using the Eckart frameAndrey Yachmenev, Sergei N YurchenkoPhysical Review Letters|July 30, 2016
Detecting Chirality in Molecules by Linearly Polarized Laser FieldsAndrey Yachmenev, Sergei N YurchenkoPhysical Chemistry Chemical Physics : PCCP|January 16, 2025
Theoretical investigation of the A<sup>1</sup>Π-X<sup>1</sup>Σ<sup>+</sup>, B<sup>1</sup>Σ<sup>+</sup>-X<sup>1</sup>Σ<sup>+</sup>, C<sup>1</sup>Σ<sup>+</sup>-X<sup>1</sup>Σ<sup>+</sup>, and E<sup>1</sup>Π-X<sup>1</sup>Σ<sup>+</sup> transitions of the CO moleculeMalathe Khalil, Salman Mahmoud, Ryan P Brady, et al.The Journal of Chemical Physics|October 23, 2020
Treating linear molecules in calculations of rotation-vibration spectraSergei N Yurchenko, Thomas M MellorThe Journal of Chemical Physics|November 2, 2015
Roto-translational states of the interstitial molecular hydrogen in silicon: A theoretical studyVladlen V Melnikov, Sergei N YurchenkoThe Journal of Chemical Physics|October 1, 2022
A variational model for the hyperfine resolved spectrum of VO in its ground electronic stateQianwei Qu, Sergei N Yurchenko, Jonathan TennysonPhysical Chemistry Chemical Physics : PCCP|July 28, 2021
A method for calculating temperature-dependent photodissociation cross sections and ratesMarco Pezzella, Sergei N Yurchenko, Jonathan TennysonPageof 8