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.
4. Instanton theory of ground-state tunneling splittings with general paths. Eraković M; Vaillant CL; Cvitaš MT J Chem Phys; 2020 Feb; 152(8):084111. PubMed ID: 32113369 [TBL] [Abstract][Full Text] [Related]
5. Instanton calculations of tunneling splittings for water dimer and trimer. Richardson JO; Althorpe SC; Wales DJ J Chem Phys; 2011 Sep; 135(12):124109. PubMed ID: 21974514 [TBL] [Abstract][Full Text] [Related]
6. Tunneling splitting and decay of metastable states in polyatomic molecules: invariant instanton theory. Mil'nikov G; Nakamura H Phys Chem Chem Phys; 2008 Mar; 10(10):1374-93. PubMed ID: 18309393 [TBL] [Abstract][Full Text] [Related]
8. Locating Instantons in Calculations of Tunneling Splittings: The Test Case of Malonaldehyde. Cvitaš MT; Althorpe SC J Chem Theory Comput; 2016 Feb; 12(2):787-803. PubMed ID: 26756608 [TBL] [Abstract][Full Text] [Related]
9. Kinetic isotope effects and how to describe them. Karandashev K; Xu ZH; Meuwly M; Vaníček J; Richardson JO Struct Dyn; 2017 Nov; 4(6):061501. PubMed ID: 29282447 [TBL] [Abstract][Full Text] [Related]
10. Instanton calculations of tunneling splittings in chiral molecules. Sahu N; Richardson JO; Berger R J Comput Chem; 2021 Feb; 42(4):210-221. PubMed ID: 33259074 [TBL] [Abstract][Full Text] [Related]
12. The ground state tunneling splitting and the zero point energy of malonaldehyde: a quantum Monte Carlo determination. Viel A; Coutinho-Neto MD; Manthe U J Chem Phys; 2007 Jan; 126(2):024308. PubMed ID: 17228955 [TBL] [Abstract][Full Text] [Related]
13. Instanton theory of tunneling in molecules with asymmetric isotopic substitutions. Jahr E; Laude G; Richardson JO J Chem Phys; 2020 Sep; 153(9):094101. PubMed ID: 32891112 [TBL] [Abstract][Full Text] [Related]
14. Accurate calculation of tunneling splittings in water clusters using path-integral based methods. Zhu YC; Yang S; Zeng JX; Fang W; Jiang L; Zhang DH; Li XZ J Chem Phys; 2023 Jun; 158(22):. PubMed ID: 37290067 [TBL] [Abstract][Full Text] [Related]
15. Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ-Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands. Nandi A; Laude G; Khire SS; Gurav ND; Qu C; Conte R; Yu Q; Li S; Houston PL; Gadre SR; Richardson JO; Evangelista FA; Bowman JM J Am Chem Soc; 2023 May; 145(17):9655-9664. PubMed ID: 37078852 [TBL] [Abstract][Full Text] [Related]
16. Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat. Vaillant CL; Wales DJ; Althorpe SC J Chem Phys; 2018 Jun; 148(23):234102. PubMed ID: 29935506 [TBL] [Abstract][Full Text] [Related]
17. Zero-point tunneling splittings in compounds with multiple hydrogen bonds calculated by the rainbow instanton method. Smedarchina Z; Siebrand W; Fernández-Ramos A J Phys Chem A; 2013 Oct; 117(43):11086-100. PubMed ID: 24093455 [TBL] [Abstract][Full Text] [Related]
18. Quantum-instanton evaluation of the kinetic isotope effects. Vanícek J; Miller WH; Castillo JF; Aoiz FJ J Chem Phys; 2005 Aug; 123(5):054108. PubMed ID: 16108632 [TBL] [Abstract][Full Text] [Related]