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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

199 related articles for article (PubMed ID: 27145081)

  • 21. Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates.
    Homayoon Z; Conte R; Qu C; Bowman JM
    J Chem Phys; 2015 Aug; 143(8):084302. PubMed ID: 26328838
    [TBL] [Abstract][Full Text] [Related]  

  • 22. Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions.
    Wang Y; Bowman JM; Kamarchik E
    J Chem Phys; 2016 Mar; 144(11):114311. PubMed ID: 27004880
    [TBL] [Abstract][Full Text] [Related]  

  • 23. MBX: A many-body energy and force calculator for data-driven many-body simulations.
    Riera M; Knight C; Bull-Vulpe EF; Zhu X; Agnew H; Smith DGA; Simmonett AC; Paesani F
    J Chem Phys; 2023 Aug; 159(5):. PubMed ID: 37526156
    [TBL] [Abstract][Full Text] [Related]  

  • 24. Data-Driven Many-Body Models with Chemical Accuracy for CH
    Riera M; Hirales A; Ghosh R; Paesani F
    J Phys Chem B; 2020 Dec; 124(49):11207-11221. PubMed ID: 33231072
    [TBL] [Abstract][Full Text] [Related]  

  • 25. How good are polarizable and flexible models for water: Insights from a many-body perspective.
    Lambros E; Paesani F
    J Chem Phys; 2020 Aug; 153(6):060901. PubMed ID: 35287447
    [TBL] [Abstract][Full Text] [Related]  

  • 26. Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.
    Trumm M; Martínez YO; Réal F; Masella M; Vallet V; Schimmelpfennig B
    J Chem Phys; 2012 Jan; 136(4):044509. PubMed ID: 22299893
    [TBL] [Abstract][Full Text] [Related]  

  • 27. A classical model for three-body interactions in aqueous ionic systems.
    Herman KM; Stone AJ; Xantheas SS
    J Chem Phys; 2022 Jul; 157(2):024101. PubMed ID: 35840377
    [TBL] [Abstract][Full Text] [Related]  

  • 28. Ab initio structural and vibrational investigation of sulfuric acid monohydrate.
    Partanen L; Hänninen V; Halonen L
    J Phys Chem A; 2012 Mar; 116(11):2867-79. PubMed ID: 22260481
    [TBL] [Abstract][Full Text] [Related]  

  • 29. High-level ab initio potential energy surfaces and vibrational energies of H2CS.
    Yachmenev A; Yurchenko SN; Ribeyre T; Thiel W
    J Chem Phys; 2011 Aug; 135(7):074302. PubMed ID: 21861565
    [TBL] [Abstract][Full Text] [Related]  

  • 30. Isomeric Equilibria, Nuclear Quantum Effects, and Vibrational Spectra of M
    Riera M; Brown SE; Paesani F
    J Phys Chem A; 2018 Jul; 122(27):5811-5821. PubMed ID: 29897757
    [TBL] [Abstract][Full Text] [Related]  

  • 31. Data-Driven Many-Body Potential Energy Functions for Generic Molecules: Linear Alkanes as a Proof-of-Concept Application.
    Bull-Vulpe EF; Riera M; Bore SL; Paesani F
    J Chem Theory Comput; 2023 Jul; 19(14):4494-4509. PubMed ID: 36113028
    [TBL] [Abstract][Full Text] [Related]  

  • 32. Prediction of Reaction Barriers and Thermochemical Properties with Explicitly Correlated Coupled-Cluster Methods: A Basis Set Assessment.
    Zhang J; Valeev EF
    J Chem Theory Comput; 2012 Sep; 8(9):3175-86. PubMed ID: 26605729
    [TBL] [Abstract][Full Text] [Related]  

  • 33. MB-Fit: Software infrastructure for data-driven many-body potential energy functions.
    Bull-Vulpe EF; Riera M; Götz AW; Paesani F
    J Chem Phys; 2021 Sep; 155(12):124801. PubMed ID: 34598567
    [TBL] [Abstract][Full Text] [Related]  

  • 34. Structures, Energetics, and IR Spectra of Monohydrated Inorganic Acids: Ab initio and DFT Study.
    Kołaski M; Zakharenko AA; Karthikeyan S; Kim KS
    J Chem Theory Comput; 2011 Oct; 7(10):3447-59. PubMed ID: 26598173
    [TBL] [Abstract][Full Text] [Related]  

  • 35. Polarizable interaction potential for water from coupled cluster calculations. I. Analysis of dimer potential energy surface.
    Bukowski R; Szalewicz K; Groenenboom GC; van der Avoird A
    J Chem Phys; 2008 Mar; 128(9):094313. PubMed ID: 18331099
    [TBL] [Abstract][Full Text] [Related]  

  • 36. Ab initio 3D potential energy and dipole moment surfaces for the CH4-Ar complex: Collision-induced intensity and dimer content.
    Kalugina YN; Lokshtanov SE; Cherepanov VN; Vigasin AA
    J Chem Phys; 2016 Feb; 144(5):054304. PubMed ID: 26851918
    [TBL] [Abstract][Full Text] [Related]  

  • 37. Water Dimer Cation: Density Functional Theory vs Ab Initio Theory.
    Lee HM; Kim KS
    J Chem Theory Comput; 2009 Apr; 5(4):976-81. PubMed ID: 26609606
    [TBL] [Abstract][Full Text] [Related]  

  • 38. Toward Data-Driven Many-Body Simulations of Biomolecules in Solution:
    Zhou R; Riera M; Paesani F
    J Chem Theory Comput; 2023 Jul; 19(13):4308-4321. PubMed ID: 37382569
    [TBL] [Abstract][Full Text] [Related]  

  • 39. Differences in structure, energy, and spectrum between neutral, protonated, and deprotonated phenol dimers: comparison of various density functionals with ab initio theory.
    Kołaski M; Kumar A; Singh NJ; Kim KS
    Phys Chem Chem Phys; 2011 Jan; 13(3):991-1001. PubMed ID: 21063580
    [TBL] [Abstract][Full Text] [Related]  

  • 40. On the accuracy of explicitly correlated methods to generate potential energy surfaces for scattering calculations and clustering: application to the HCl-He complex.
    Ajili Y; Hammami K; Jaidane NE; Lanza M; Kalugina YN; Lique F; Hochlaf M
    Phys Chem Chem Phys; 2013 Jul; 15(25):10062-70. PubMed ID: 23443908
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 10.