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.
199 related articles for article (PubMed ID: 27145081)
1. Toward Chemical Accuracy in the Description of Ion-Water Interactions through Many-Body Representations. I. Halide-Water Dimer Potential Energy Surfaces. Bajaj P; Götz AW; Paesani F J Chem Theory Comput; 2016 Jun; 12(6):2698-705. PubMed ID: 27145081 [TBL] [Abstract][Full Text] [Related]
2. Toward chemical accuracy in the description of ion-water interactions through many-body representations. Alkali-water dimer potential energy surfaces. Riera M; Mardirossian N; Bajaj P; Götz AW; Paesani F J Chem Phys; 2017 Oct; 147(16):161715. PubMed ID: 29096469 [TBL] [Abstract][Full Text] [Related]
3. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces. Bajaj P; Wang XG; Carrington T; Paesani F J Chem Phys; 2018 Mar; 148(10):102321. PubMed ID: 29544337 [TBL] [Abstract][Full Text] [Related]
4. i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy Functions. Arismendi-Arrieta DJ; Riera M; Bajaj P; Prosmiti R; Paesani F J Phys Chem B; 2016 Mar; 120(8):1822-32. PubMed ID: 26560189 [TBL] [Abstract][Full Text] [Related]
5. The i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functions. Riera M; Götz AW; Paesani F Phys Chem Chem Phys; 2016 Nov; 18(44):30334-30343. PubMed ID: 27711564 [TBL] [Abstract][Full Text] [Related]
6. Data-Driven Many-Body Models for Molecular Fluids: CO Riera M; Yeh EP; Paesani F J Chem Theory Comput; 2020 Apr; 16(4):2246-2257. PubMed ID: 32130003 [TBL] [Abstract][Full Text] [Related]
7. Getting the Right Answers for the Right Reasons: Toward Predictive Molecular Simulations of Water with Many-Body Potential Energy Functions. Paesani F Acc Chem Res; 2016 Sep; 49(9):1844-51. PubMed ID: 27548325 [TBL] [Abstract][Full Text] [Related]
8. On the accuracy of the MB-pol many-body potential for water: Interaction energies, vibrational frequencies, and classical thermodynamic and dynamical properties from clusters to liquid water and ice. Reddy SK; Straight SC; Bajaj P; Huy Pham C; Riera M; Moberg DR; Morales MA; Knight C; Götz AW; Paesani F J Chem Phys; 2016 Nov; 145(19):194504. PubMed ID: 27875875 [TBL] [Abstract][Full Text] [Related]
9. Effects of Heterogeneity in Small π-Type Dimers: Homogeneous and Mixed Dimers of Diacetylene and Cyanogen. Copeland KL; Tschumper GS J Chem Theory Comput; 2012 Nov; 8(11):4279-84. PubMed ID: 26605591 [TBL] [Abstract][Full Text] [Related]
10. An extensive assessment of the performance of pairwise and many-body interaction potentials in reproducing Herman KM; Xantheas SS Phys Chem Chem Phys; 2023 Mar; 25(10):7120-7143. PubMed ID: 36853239 [TBL] [Abstract][Full Text] [Related]
11. Many-Body Interactions in Ice. Pham CH; Reddy SK; Chen K; Knight C; Paesani F J Chem Theory Comput; 2017 Apr; 13(4):1778-1784. PubMed ID: 28245359 [TBL] [Abstract][Full Text] [Related]
12. Development of a "First Principles" Water Potential with Flexible Monomers: Dimer Potential Energy Surface, VRT Spectrum, and Second Virial Coefficient. Babin V; Leforestier C; Paesani F J Chem Theory Comput; 2013 Dec; 9(12):5395-403. PubMed ID: 26592277 [TBL] [Abstract][Full Text] [Related]
13. Molecular dimers of methane clathrates: ab initio potential energy surfaces and variational vibrational states. Metz MP; Szalewicz K; Sarka J; Tóbiás R; Császár AG; Mátyus E Phys Chem Chem Phys; 2019 Jun; 21(25):13504-13525. PubMed ID: 31206103 [TBL] [Abstract][Full Text] [Related]
14. Data-driven many-body models enable a quantitative description of chloride hydration from clusters to bulk. Caruso A; Paesani F J Chem Phys; 2021 Aug; 155(6):064502. PubMed ID: 34391363 [TBL] [Abstract][Full Text] [Related]
15. Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions. Nguyen TT; Székely E; Imbalzano G; Behler J; Csányi G; Ceriotti M; Götz AW; Paesani F J Chem Phys; 2018 Jun; 148(24):241725. PubMed ID: 29960316 [TBL] [Abstract][Full Text] [Related]
16. Highly Accurate Many-Body Potentials for Simulations of N Cruzeiro VWD; Lambros E; Riera M; Roy R; Paesani F; Götz AW J Chem Theory Comput; 2021 Jul; 17(7):3931-3945. PubMed ID: 34029079 [TBL] [Abstract][Full Text] [Related]
17. Development of a "First Principles" Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters. Babin V; Medders GR; Paesani F J Chem Theory Comput; 2014 Apr; 10(4):1599-607. PubMed ID: 26580372 [TBL] [Abstract][Full Text] [Related]
18. On the representation of many-body interactions in water. Medders GR; Götz AW; Morales MA; Bajaj P; Paesani F J Chem Phys; 2015 Sep; 143(10):104102. PubMed ID: 26374013 [TBL] [Abstract][Full Text] [Related]
19. The Many-Body Expansion for Aqueous Systems Revisited: II. Alkali Metal and Halide Ion-Water Interactions. Heindel JP; Xantheas SS J Chem Theory Comput; 2021 Apr; 17(4):2200-2216. PubMed ID: 33709708 [TBL] [Abstract][Full Text] [Related]
20. Accurate Modeling of Bromide and Iodide Hydration with Data-Driven Many-Body Potentials. Caruso A; Zhu X; Fulton JL; Paesani F J Phys Chem B; 2022 Oct; 126(41):8266-8278. PubMed ID: 36214512 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]