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.
156 related articles for article (PubMed ID: 29944376)
41. From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Kreis K; Tuckerman ME; Donadio D; Kremer K; Potestio R J Chem Theory Comput; 2016 Jul; 12(7):3030-9. PubMed ID: 27214610 [TBL] [Abstract][Full Text] [Related]
42. Functional integral approach: a third formulation of quantum statistical mechanics. Dai XX; Evenson WE Phys Rev E Stat Nonlin Soft Matter Phys; 2002 Feb; 65(2 Pt 2):026118. PubMed ID: 11863598 [TBL] [Abstract][Full Text] [Related]
43. A quantum propagator for path-integral simulations of rigid molecules. Noya EG; Vega C; McBride C J Chem Phys; 2011 Feb; 134(5):054117. PubMed ID: 21303102 [TBL] [Abstract][Full Text] [Related]
44. Overcoming barriers in trajectory space: mechanism and kinetics of rare events via Wang-Landau enhanced transition path sampling. Borrero EE; Dellago C J Chem Phys; 2010 Oct; 133(13):134112. PubMed ID: 20942528 [TBL] [Abstract][Full Text] [Related]
45. Integral transforms of the quantum mechanical path integral: Hit function and path-averaged potential. Edwards JP; Gerber U; Schubert C; Trejo MA; Weber A Phys Rev E; 2018 Apr; 97(4-1):042114. PubMed ID: 29758645 [TBL] [Abstract][Full Text] [Related]
46. Looping probabilities of elastic chains: a path integral approach. Cotta-Ramusino L; Maddocks JH Phys Rev E Stat Nonlin Soft Matter Phys; 2010 Nov; 82(5 Pt 1):051924. PubMed ID: 21230517 [TBL] [Abstract][Full Text] [Related]
48. Quantum free energy landscapes from ab initio path integral metadynamics: Double proton transfer in the formic acid dimer is concerted but not correlated. Ivanov SD; Grant IM; Marx D J Chem Phys; 2015 Sep; 143(12):124304. PubMed ID: 26429008 [TBL] [Abstract][Full Text] [Related]
49. Integral Equation Theory of Molecular Solvation Coupled with Quantum Mechanical/Molecular Mechanics Method in NWChem Package. Chuev GN; Valiev M; Fedotova MV J Chem Theory Comput; 2012 Apr; 8(4):1246-54. PubMed ID: 26596741 [TBL] [Abstract][Full Text] [Related]
50. Ab initio statistical mechanics of surface adsorption and desorption. II. Nuclear quantum effects. Alfè D; Gillan MJ J Chem Phys; 2010 Jul; 133(4):044103. PubMed ID: 20687629 [TBL] [Abstract][Full Text] [Related]
51. Quantum-classical path integral. I. Classical memory and weak quantum nonlocality. Lambert R; Makri N J Chem Phys; 2012 Dec; 137(22):22A552. PubMed ID: 23249089 [TBL] [Abstract][Full Text] [Related]
52. From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics. Kreis K; Kremer K; Potestio R; Tuckerman ME J Chem Phys; 2017 Dec; 147(24):244104. PubMed ID: 29289131 [TBL] [Abstract][Full Text] [Related]
53. Review of computer simulations of isotope effects on biochemical reactions: From the Bigeleisen equation to Feynman's path integral. Wong KY; Xu Y; Xu L Biochim Biophys Acta; 2015 Nov; 1854(11):1782-94. PubMed ID: 25936775 [TBL] [Abstract][Full Text] [Related]
54. Onsager-Machlup action-based path sampling and its combination with replica exchange for diffusive and multiple pathways. Fujisaki H; Shiga M; Kidera A J Chem Phys; 2010 Apr; 132(13):134101. PubMed ID: 20387915 [TBL] [Abstract][Full Text] [Related]
55. Simultaneous computation of free energies and kinetics of rare events. Moroni D; van Erp TS; Bolhuis PG Phys Rev E Stat Nonlin Soft Matter Phys; 2005 May; 71(5 Pt 2):056709. PubMed ID: 16089693 [TBL] [Abstract][Full Text] [Related]
56. Quantum annealing of an Ising spin-glass by Green's function Monte Carlo. Stella L; Santoro GE Phys Rev E Stat Nonlin Soft Matter Phys; 2007 Mar; 75(3 Pt 2):036703. PubMed ID: 17500822 [TBL] [Abstract][Full Text] [Related]
57. A reductionist perspective on quantum statistical mechanics: Coarse-graining of path integrals. Sinitskiy AV; Voth GA J Chem Phys; 2015 Sep; 143(9):094104. PubMed ID: 26342356 [TBL] [Abstract][Full Text] [Related]
59. Variational quantum mechanical and active database approaches to the rotational-vibrational spectroscopy of ketene, H2CCO. Fábri C; Mátyus E; Furtenbacher T; Nemes L; Mihály B; Zoltáni T; Császár AG J Chem Phys; 2011 Sep; 135(9):094307. PubMed ID: 21913763 [TBL] [Abstract][Full Text] [Related]
60. Rotational fluctuation of molecules in quantum clusters. I. Path integral hybrid Monte Carlo algorithm. Miura S J Chem Phys; 2007 Mar; 126(11):114308. PubMed ID: 17381207 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]