These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
22. Effectiveness of perturbation theory approaches for computing non-condon electron transfer dynamics in condensed phases. Cook WR; Coalson RD; Evans DG J Phys Chem B; 2009 Aug; 113(33):11437-47. PubMed ID: 19630413 [TBL] [Abstract][Full Text] [Related]
23. A justification for a nonadiabatic surface hopping Herman-Kluk semiclassical initial value representation of the time evolution operator. Wu Y; Herman MF J Chem Phys; 2006 Oct; 125(15):154116. PubMed ID: 17059248 [TBL] [Abstract][Full Text] [Related]
24. Towards the realization of ab initio dynamics at the speed of molecular mechanics: simulations with interpolated diabatic Hamiltonian. Park JW; Rhee YM Chemphyschem; 2014 Oct; 15(15):3183-93. PubMed ID: 25080201 [TBL] [Abstract][Full Text] [Related]
25. Wigner function approach to the quantum Brownian motion of a particle in a potential. Coffey WT; Kalmykov YP; Titov SV; Mulligan BP Phys Chem Chem Phys; 2007 Jul; 9(26):3361-82. PubMed ID: 17664961 [TBL] [Abstract][Full Text] [Related]
26. Calculation of long time classical trajectories: algorithmic treatment and applications for molecular systems. Schwetlick H; Zimmer J J Chem Phys; 2009 Mar; 130(12):124106. PubMed ID: 19334807 [TBL] [Abstract][Full Text] [Related]
27. Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping. Xiang Y; Warshel A J Phys Chem B; 2008 Jan; 112(3):1007-15. PubMed ID: 18166038 [TBL] [Abstract][Full Text] [Related]
28. A new perspective for nonadiabatic dynamics with phase space mapping models. He X; Liu J J Chem Phys; 2019 Jul; 151(2):024105. PubMed ID: 31301706 [TBL] [Abstract][Full Text] [Related]
29. Toward monitoring the dissipative vibrational energy flows in open quantum systems by mixed quantum-classical simulations. Kim CW; Rhee YM J Chem Phys; 2020 Jun; 152(24):244109. PubMed ID: 32610983 [TBL] [Abstract][Full Text] [Related]
31. Non-Markovian theory of open systems in classical limit. Neufeld AA J Chem Phys; 2004 Aug; 121(6):2542-52. PubMed ID: 15281851 [TBL] [Abstract][Full Text] [Related]
32. Dynamics of the Davydov-Scott monomer in a thermal bath: comparison of the full quantum and semiclassical approaches. Cuevas J; Silva PA; Romero FR; Cruzeiro L Phys Rev E Stat Nonlin Soft Matter Phys; 2007 Jul; 76(1 Pt 1):011907. PubMed ID: 17677494 [TBL] [Abstract][Full Text] [Related]
33. Generalization of classical mechanics for nuclear motions on nonadiabatically coupled potential energy surfaces in chemical reactions. Takatsuka K J Phys Chem A; 2007 Oct; 111(41):10196-204. PubMed ID: 17676718 [TBL] [Abstract][Full Text] [Related]
34. Symplectic Foliation Structures of Non-Equilibrium Thermodynamics as Dissipation Model: Application to Metriplectic Nonlinear Lindblad Quantum Master Equation. Barbaresco F Entropy (Basel); 2022 Nov; 24(11):. PubMed ID: 36359716 [TBL] [Abstract][Full Text] [Related]
35. Benchmarking the forward-backward trajectory solution of the quantum-classical Liouville equation. Braver Y; Valkunas L; Gelzinis A J Chem Phys; 2020 Jun; 152(21):214116. PubMed ID: 32505164 [TBL] [Abstract][Full Text] [Related]
36. Electronically nonadiabatic dynamics in complex molecular systems: an efficient and accurate semiclassical solution. Tao G J Phys Chem A; 2013 Jul; 117(28):5821-5. PubMed ID: 23799272 [TBL] [Abstract][Full Text] [Related]
37. Unified treatment of quantum coherent and incoherent hopping dynamics in electronic energy transfer: reduced hierarchy equation approach. Ishizaki A; Fleming GR J Chem Phys; 2009 Jun; 130(23):234111. PubMed ID: 19548715 [TBL] [Abstract][Full Text] [Related]
38. Environment-assisted quantum walks in photosynthetic energy transfer. Mohseni M; Rebentrost P; Lloyd S; Aspuru-Guzik A J Chem Phys; 2008 Nov; 129(17):174106. PubMed ID: 19045332 [TBL] [Abstract][Full Text] [Related]
39. Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation. Hsieh CY; Kapral R J Chem Phys; 2013 Apr; 138(13):134110. PubMed ID: 23574211 [TBL] [Abstract][Full Text] [Related]