164 related articles for article (PubMed ID: 29934938)
1. Dispersion and polar flattening: noble gas-halogen complexes.
Legon AC; Sharapa D; Clark T
J Mol Model; 2018 Jun; 24(7):172. PubMed ID: 29934938
[TBL] [Abstract][Full Text] [Related]
2. Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces.
de Lara-Castells MP; Bartolomei M; Mitrushchenkov AO; Stoll H
J Chem Phys; 2015 Nov; 143(19):194701. PubMed ID: 26590547
[TBL] [Abstract][Full Text] [Related]
3. Molecular Beam Scattering Experiments as a Sensitive Probe of the Interaction in Bromine-Noble Gas Complexes.
Cappelletti D; Cinti A; Nicoziani A; Falcinelli S; Pirani F
Front Chem; 2019; 7():320. PubMed ID: 31157202
[TBL] [Abstract][Full Text] [Related]
4. How strong is the interaction between a noble gas atom and a noble metal atom in the insertion compounds MNgF (M=Cu and Ag, and Ng=Ar, Kr, and Xe)?
Ghanty TK
J Chem Phys; 2006 Mar; 124(12):124304. PubMed ID: 16599671
[TBL] [Abstract][Full Text] [Related]
5. Insight into the halogen-bond nature of noble gas-chlorine systems by molecular beam scattering experiments, ab initio calculations and charge displacement analysis.
Nunzi F; Cesario D; Belpassi L; Tarantelli F; Roncaratti LF; Falcinelli S; Cappelletti D; Pirani F
Phys Chem Chem Phys; 2019 Apr; 21(14):7330-7340. PubMed ID: 30896694
[TBL] [Abstract][Full Text] [Related]
6. Ab initio studies of the Rg-NO(+)(X(1)Σ(+)) van der Waals complexes (Rg = He, Ne, Ar, Kr, and Xe).
Orek C; Kłos J; Lique F; Bulut N
J Chem Phys; 2016 May; 144(20):204303. PubMed ID: 27250302
[TBL] [Abstract][Full Text] [Related]
7. The C3-bending vibrational levels of the C3-Kr and C3-Xe van der Waals complexes studied by their Ã-X̃ electronic transitions and by ab initio calculations.
Chao JM; Tham KS; Zhang G; Merer AJ; Hsu YC; Hu WP
J Chem Phys; 2011 Feb; 134(7):074313. PubMed ID: 21341850
[TBL] [Abstract][Full Text] [Related]
8. Theoretical prediction of noble-gas compounds: Ng-Pd-Ng and Ng-Pt-Ng.
Taketsugu Y; Taketsugu T; Noro T
J Chem Phys; 2006 Oct; 125(15):154308. PubMed ID: 17059256
[TBL] [Abstract][Full Text] [Related]
9. Reactivity and regioselectivity of noble gas endohedral fullerenes Ng@C(60) and Ng(2)@C(60) (Ng=He-Xe).
Osuna S; Swart M; Solà M
Chemistry; 2009 Dec; 15(47):13111-23. PubMed ID: 19859923
[TBL] [Abstract][Full Text] [Related]
10. Insertion of noble-gas atom (Kr and Xe) into noble-metal molecules (AuF and AuOH): are they stable?
Ghanty TK
J Chem Phys; 2005 Aug; 123(7):074323. PubMed ID: 16229586
[TBL] [Abstract][Full Text] [Related]
11. Accurate ab initio structural parameters of the diatomic and triatomic van der Waals molecules (11)BNg (X(2)Π, A(2)Σ(+)) and (11)BNg2 (X̃(2)B1), Ng = (4)He, (20)Ne, (40)Ar, (84)Kr, and (132)Xe.
Magoulas I; Papakondylis A; Mavridis A
J Phys Chem A; 2014 Jun; 118(22):3990-5. PubMed ID: 24806885
[TBL] [Abstract][Full Text] [Related]
12. New basis sets for the evaluation of interaction energies: an ab initio study of the He-He, Ne-Ne, Ar-Ar, He-Ne, He-Ar and Ne-Ar van der Waals complex internuclear potentials and ro-vibrational spectra.
Baranowska A; Capelo SB; Fernández B
Phys Chem Chem Phys; 2010 Nov; 12(41):13586-96. PubMed ID: 20871894
[TBL] [Abstract][Full Text] [Related]
13. Is this a chemical bond? A theoretical study of Ng2@C60 (Ng=He, Ne, Ar, Kr, Xe).
Krapp A; Frenking G
Chemistry; 2007; 13(29):8256-70. PubMed ID: 17639524
[TBL] [Abstract][Full Text] [Related]
14. Investigations of the Rg-BrCl (Rg=He, Ne, Ar, Kr, Xe) binary van der Waals complexes: ab initio intermolecular potential energy surfaces, vibrational states and predicted pure rotational transition frequencies.
Li S; Zheng R; Chen SJ; Chen Y; Chen P
Spectrochim Acta A Mol Biomol Spectrosc; 2017 Mar; 174():105-117. PubMed ID: 27888780
[TBL] [Abstract][Full Text] [Related]
15. Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies.
Sütay B; Yurtsever M
J Mol Model; 2017 May; 23(5):150. PubMed ID: 28374215
[TBL] [Abstract][Full Text] [Related]
16. Molecular simulations and density functional theory calculations of bromine in clathrate hydrate phases.
Dureckova H; Woo TK; Alavi S
J Chem Phys; 2016 Jan; 144(4):044501. PubMed ID: 26827220
[TBL] [Abstract][Full Text] [Related]
17. Noble Gas Inserted Protonated Silicon Monoxide Cations: HNgOSi(+) (Ng = He, Ne, Ar, Kr, and Xe).
Sekhar P; Ghosh A; Ghanty TK
J Phys Chem A; 2015 Nov; 119(47):11601-13. PubMed ID: 26501440
[TBL] [Abstract][Full Text] [Related]
18. Vibrational shifts of HXeCl in matrix environments.
Niimi K; Nakayama A; Ono Y; Taketsugu T
J Phys Chem A; 2014 Jan; 118(2):380-7. PubMed ID: 24372421
[TBL] [Abstract][Full Text] [Related]
19. A study of the atmospherically important reactions between dimethyl selenide (DMSe) and molecular halogens (X2 = Cl2, Br2, and I2) with ab initio calculations.
Rhyman L; Armata N; Ramasami P; Dyke JM
J Phys Chem A; 2012 Jun; 116(23):5595-603. PubMed ID: 22620988
[TBL] [Abstract][Full Text] [Related]
20. Noble gas encapsulation into carbon nanotubes: predictions from analytical model and DFT studies.
Balasubramani SG; Singh D; Swathi RS
J Chem Phys; 2014 Nov; 141(18):184304. PubMed ID: 25399144
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]