1053 related articles for article (PubMed ID: 19045365)
1. Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100).
Sakong S; Kratzer P; Han X; Lass K; Weingart O; Hasselbrink E
J Chem Phys; 2008 Nov; 129(17):174702. PubMed ID: 19045365
[TBL] [Abstract][Full Text] [Related]
2. Isotope effects in the vibrational lifetime of hydrogen on germanium(100): theory and experiment.
Sakong S; Kratzer P; Han X; Balgar T; Hasselbrink E
J Chem Phys; 2009 Sep; 131(12):124502. PubMed ID: 19791889
[TBL] [Abstract][Full Text] [Related]
3. Hydrogen vibrational modes on graphene and relaxation of the C-H stretch excitation from first-principles calculations.
Sakong S; Kratzer P
J Chem Phys; 2010 Aug; 133(5):054505. PubMed ID: 20707540
[TBL] [Abstract][Full Text] [Related]
4. Theoretical study of vibration-phonon coupling of H adsorbed on a Si(100) surface.
Andrianov I; Saalfrank P
J Chem Phys; 2006 Jan; 124(3):034710. PubMed ID: 16438603
[TBL] [Abstract][Full Text] [Related]
5. Isotopic effects in vibrational relaxation dynamics of H on a Si(100) surface.
Bouakline F; Lorenz U; Melani G; Paramonov GK; Saalfrank P
J Chem Phys; 2017 Oct; 147(14):144703. PubMed ID: 29031276
[TBL] [Abstract][Full Text] [Related]
6. Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimer.
Antony J; von Helden G; Meijer G; Schmidt B
J Chem Phys; 2005 Jul; 123(1):014305. PubMed ID: 16035833
[TBL] [Abstract][Full Text] [Related]
7. Vibrational recognition of adsorption sites for CO on platinum and platinum-ruthenium surfaces.
Dabo I; Wieckowski A; Marzari N
J Am Chem Soc; 2007 Sep; 129(36):11045-52. PubMed ID: 17705376
[TBL] [Abstract][Full Text] [Related]
8. Vibrational spectroscopy of protonated imidazole and its complexes with water molecules: ab initio anharmonic calculations and experiments.
Adesokan AA; Chaban GM; Dopfer O; Gerber RB
J Phys Chem A; 2007 Aug; 111(31):7374-81. PubMed ID: 17500546
[TBL] [Abstract][Full Text] [Related]
9. Isotopic effect on the vibrational lifetime of the carbon-deuterium stretch excitation on graphene.
Sakong S; Kratzer P
J Chem Phys; 2011 Sep; 135(11):114506. PubMed ID: 21950870
[TBL] [Abstract][Full Text] [Related]
10. Vibrational spectroscopy of the G...C base pair: experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings.
Brauer B; Gerber RB; Kabelác M; Hobza P; Bakker JM; Abo Riziq AG; de Vries MS
J Phys Chem A; 2005 Aug; 109(31):6974-84. PubMed ID: 16834057
[TBL] [Abstract][Full Text] [Related]
11. 2D calculation of anharmonic OH vibrations in a layered hydroxide crystal.
Gajewski G; Mitev PD; Hermansson K
J Chem Phys; 2008 Aug; 129(6):064502. PubMed ID: 18715080
[TBL] [Abstract][Full Text] [Related]
12. Theoretical investigation of CO interaction with copper sites in zeolites: periodic DFT and hybrid quantum mechanical/interatomic potential function study.
Bludský O; Silhan M; Nachtigall P; Bucko T; Benco L; Hafner J
J Phys Chem B; 2005 May; 109(19):9631-8. PubMed ID: 16852159
[TBL] [Abstract][Full Text] [Related]
13. Adsorption and vibrational spectroscopy of ammonia at mordenite: ab initio study.
Bucko T; Hafner J; Benco L
J Chem Phys; 2004 Jun; 120(21):10263-77. PubMed ID: 15268051
[TBL] [Abstract][Full Text] [Related]
14. Vibrational dynamics of hydrogen on Ge surfaces.
Han X; Balgar T; Hasselbrink E
J Chem Phys; 2009 Apr; 130(13):134701. PubMed ID: 19355758
[TBL] [Abstract][Full Text] [Related]
15. Anharmonic coupling in molecular dynamics simulations of ligand vibrational relaxation in bound carbonmonoxy myoglobin.
Devereux M; Meuwly M
J Phys Chem B; 2009 Oct; 113(39):13061-70. PubMed ID: 19725512
[TBL] [Abstract][Full Text] [Related]
16. Vibrational behavior of adsorbed CO2 on single-walled carbon nanotubes.
Yim WL; Byl O; Yates JT; Johnson JK
J Chem Phys; 2004 Mar; 120(11):5377-86. PubMed ID: 15267411
[TBL] [Abstract][Full Text] [Related]
17. Spectroscopic and theoretical investigations of vibrational frequencies in binary unsaturated transition-metal carbonyl cations, neutrals, and anions.
Zhou M; Andrews L; Bauschlicher CW
Chem Rev; 2001 Jul; 101(7):1931-61. PubMed ID: 11710236
[TBL] [Abstract][Full Text] [Related]
18. Applicability of density functional theory in reproducing accurate vibrational spectra of surface bound species.
Matanović I; Atanassov P; Kiefer B; Garzon FH; Henson NJ
J Comput Chem; 2014 Oct; 35(26):1921-9. PubMed ID: 25164265
[TBL] [Abstract][Full Text] [Related]
19. The ab initio assigning of the vibrational probing modes of tryptophan: linear shifting of approximate anharmonic frequencies vs. multiplicative scaling of harmonic frequencies.
Kabelác M; Hobza P; Spirko V
Phys Chem Chem Phys; 2009 May; 11(20):3921-6. PubMed ID: 19440620
[TBL] [Abstract][Full Text] [Related]
20. Calculation of vibrational transition frequencies and intensities in water dimer: comparison of different vibrational approaches.
Kjaergaard HG; Garden AL; Chaban GM; Gerber RB; Matthews DA; Stanton JF
J Phys Chem A; 2008 May; 112(18):4324-35. PubMed ID: 18407701
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]