110 related articles for article (PubMed ID: 29993064)
1. Dynamics of N
Peña-Torres A; Busnengo HF; Juaristi JI; Larregaray P; Crespos C
Phys Chem Chem Phys; 2018 Jul; 20(29):19326-19331. PubMed ID: 29993064
[TBL] [Abstract][Full Text] [Related]
2. Influence of the van der Waals interaction in the dissociation dynamics of N2 on W(110) from first principles.
Martin-Gondre L; Juaristi JI; Blanco-Rey M; Díez Muiño R; Alducin M
J Chem Phys; 2015 Feb; 142(7):074704. PubMed ID: 25702021
[TBL] [Abstract][Full Text] [Related]
3. Application of van der Waals functionals to the calculation of dissociative adsorption of N2 on W(110) for static and dynamic systems.
Migliorini D; Nattino F; Kroes GJ
J Chem Phys; 2016 Feb; 144(8):084702. PubMed ID: 26931713
[TBL] [Abstract][Full Text] [Related]
4. On the chaperon mechanism: application to ClO + ClO (+N2) --> ClOOCl (+N2).
Liu J; Barker JR
J Phys Chem A; 2007 Sep; 111(35):8689-98. PubMed ID: 17696323
[TBL] [Abstract][Full Text] [Related]
5. The Sticking of N
Rutigliano M; Pirani F
Molecules; 2023 Nov; 28(22):. PubMed ID: 38005267
[TBL] [Abstract][Full Text] [Related]
6. Diffractive and reactive scattering of H2 from Ru(0001): experimental and theoretical study.
Nieto P; Farías D; Miranda R; Luppi M; Baerends EJ; Somers MF; van der Niet MJ; Olsen RA; Kroes GJ
Phys Chem Chem Phys; 2011 May; 13(18):8583-97. PubMed ID: 21487588
[TBL] [Abstract][Full Text] [Related]
7. van der waals interactions in the Cl + HD reaction.
Skouteris D; Manolopoulos DE; Bian W; Werner HJ; Lai LH; Liu K
Science; 1999 Nov; 286(5445):1713-6. PubMed ID: 10576733
[TBL] [Abstract][Full Text] [Related]
8. CO2 capture by metal-organic frameworks with van der Waals density functionals.
Poloni R; Smit B; Neaton JB
J Phys Chem A; 2012 May; 116(20):4957-64. PubMed ID: 22519821
[TBL] [Abstract][Full Text] [Related]
9. Performance of a Non-Local van der Waals Density Functional on the Dissociation of H2 on Metal Surfaces.
Wijzenbroek M; Klein DM; Smits B; Somers MF; Kroes GJ
J Phys Chem A; 2015 Dec; 119(50):12146-58. PubMed ID: 26258988
[TBL] [Abstract][Full Text] [Related]
10. Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals.
Carter DJ; Rohl AL
J Chem Theory Comput; 2014 Aug; 10(8):3423-37. PubMed ID: 26588311
[TBL] [Abstract][Full Text] [Related]
11. CO
Muttaqien F; Hamamoto Y; Hamada I; Inagaki K; Shiozawa Y; Mukai K; Koitaya T; Yoshimoto S; Yoshinobu J; Morikawa Y
J Chem Phys; 2017 Sep; 147(9):094702. PubMed ID: 28886627
[TBL] [Abstract][Full Text] [Related]
12. Methane dissociation on Pt(111): Searching for a specific reaction parameter density functional.
Nattino F; Migliorini D; Bonfanti M; Kroes GJ
J Chem Phys; 2016 Jan; 144(4):044702. PubMed ID: 26827223
[TBL] [Abstract][Full Text] [Related]
13. The effect of the exchange-correlation functional on H2 dissociation on Ru(0001).
Wijzenbroek M; Kroes GJ
J Chem Phys; 2014 Feb; 140(8):084702. PubMed ID: 24588186
[TBL] [Abstract][Full Text] [Related]
14. Density-functional description of polymer crystals: A comparative study of recent van der Waals functionals.
Pham TH; Ramprasad R; Nguyen HV
J Chem Phys; 2016 Jun; 144(21):214905. PubMed ID: 27276968
[TBL] [Abstract][Full Text] [Related]
15. Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods.
Ganesh P; Kim J; Park C; Yoon M; Reboredo FA; Kent PR
J Chem Theory Comput; 2014 Dec; 10(12):5318-23. PubMed ID: 26583215
[TBL] [Abstract][Full Text] [Related]
16. New results for the OH (nu = 0,j = 0) + CO (nu = 0,j = 0) --> H + CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces.
Valero R; McCormack DA; Kroes GJ
J Chem Phys; 2004 Mar; 120(9):4263-72. PubMed ID: 15268595
[TBL] [Abstract][Full Text] [Related]
17. Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules.
Berland K; Jiao Y; Lee JH; Rangel T; Neaton JB; Hyldgaard P
J Chem Phys; 2017 Jun; 146(23):234106. PubMed ID: 28641426
[TBL] [Abstract][Full Text] [Related]
18. Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001).
Kebede GG; Spångberg D; Mitev PD; Broqvist P; Hermansson K
J Chem Phys; 2017 Feb; 146(6):064703. PubMed ID: 28201901
[TBL] [Abstract][Full Text] [Related]
19. The role of van der Waals interactions in the adsorption of noble gases on metal surfaces.
Chen DL; Al-Saidi WA; Johnson JK
J Phys Condens Matter; 2012 Oct; 24(42):424211. PubMed ID: 23032730
[TBL] [Abstract][Full Text] [Related]
20. Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.
Göltl F; Grüneis A; Bučko T; Hafner J
J Chem Phys; 2012 Sep; 137(11):114111. PubMed ID: 22998253
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
