213 related articles for article (PubMed ID: 17313217)
1. Simulation of inversion motion and N-H stretching overtone spectra of aniline.
Hänninen V; Halonen L
J Chem Phys; 2007 Feb; 126(6):064309. PubMed ID: 17313217
[TBL] [Abstract][Full Text] [Related]
2. Calculation of overtone O-H stretching bands and intensities of the water trimer.
Salmi T; Kjaergaard HG; Halonen L
J Phys Chem A; 2009 Aug; 113(32):9124-32. PubMed ID: 19621932
[TBL] [Abstract][Full Text] [Related]
3. Acceptor tunneling motion and O-H stretching vibration overtones of the water dimer.
Hänninen V; Salmi T; Halonen L
J Phys Chem A; 2009 Jun; 113(25):7133-7. PubMed ID: 19489600
[TBL] [Abstract][Full Text] [Related]
4. The OH-stretching and OOH-bending overtone spectrum of HOONO.
Schofield DP; Kjaergaard HG; Matthews J; Sinha A
J Chem Phys; 2005 Oct; 123(13):134318. PubMed ID: 16223299
[TBL] [Abstract][Full Text] [Related]
5. Theoretical model of infrared spectra of hydrogen bonds in molecular crystals and its application to interpretation of infrared spectra of 1-methylthymine.
Boczar M; Boda Ł; Wójcik MJ
J Chem Phys; 2006 Aug; 125(8):084709. PubMed ID: 16965041
[TBL] [Abstract][Full Text] [Related]
6. Accurate ab initio structure, dissociation energy, and vibrational spectroscopy of the F(-)-CH4 anion complex.
Czakó G; Braams BJ; Bowman JM
J Phys Chem A; 2008 Aug; 112(32):7466-72. PubMed ID: 18651724
[TBL] [Abstract][Full Text] [Related]
7. Calculation of the O-H stretching vibrational overtone spectrum of the water dimer.
Salmi T; Hänninen V; Garden AL; Kjaergaard HG; Tennyson J; Halonen L
J Phys Chem A; 2008 Jul; 112(28):6305-12. PubMed ID: 18572900
[TBL] [Abstract][Full Text] [Related]
8. Inversion vibration of PH3+(X2A2") studied by zero kinetic energy photoelectron spectroscopy.
Yang J; Li J; Hao Y; Zhou C; Mo Y
J Chem Phys; 2006 Aug; 125(5):054311. PubMed ID: 16942217
[TBL] [Abstract][Full Text] [Related]
9. Application of Gaussian-type geminals in local second-order Møller-Plesset perturbation theory.
Polly R; Werner HJ; Dahle P; Taylor PR
J Chem Phys; 2006 Jun; 124(23):234107. PubMed ID: 16821907
[TBL] [Abstract][Full Text] [Related]
10. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
[TBL] [Abstract][Full Text] [Related]
11. Study of NH stretching vibrations in small ammonia clusters by infrared spectroscopy in He droplets and ab initio calculations.
Slipchenko MN; Sartakov BG; Vilesov AF; Xantheas SS
J Phys Chem A; 2007 Aug; 111(31):7460-71. PubMed ID: 17530831
[TBL] [Abstract][Full Text] [Related]
12. Theoretical model for a tetrad of hydrogen bonds and its application to interpretation of infrared spectra of salicylic acid.
Boczar M; Boda Ł; Wójcik MJ
J Chem Phys; 2006 Feb; 124(8):084306. PubMed ID: 16512715
[TBL] [Abstract][Full Text] [Related]
13. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
Pai CC; Li AH; Chao SD
J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
[TBL] [Abstract][Full Text] [Related]
14. Theoretical and experimental studies for the interpretation of vibrational circular dichroism spectra in the CH-stretching overtone region.
Abbate S; Longhi G; Santina C
Chirality; 2000 May; 12(4):180-90. PubMed ID: 10790188
[TBL] [Abstract][Full Text] [Related]
15. Calculated band profiles of the OH-stretching transitions in water dimer.
Garden AL; Halonen L; Kjaergaard HG
J Phys Chem A; 2008 Aug; 112(32):7439-47. PubMed ID: 18636719
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Infrared spectra of the Cl- -C2H4 and Br- -C2H4 anion dimers.
Wilson RL; Loh ZM; Wild DA; Thompson CD; Schuder MD; Lisy JM; Bieske EJ
Phys Chem Chem Phys; 2005 Oct; 7(19):3419-25. PubMed ID: 16273142
[TBL] [Abstract][Full Text] [Related]
18. Vibrational analysis of I2*- x nCO2 clusters (n = 1-10): a first principle study on microsolvation.
Pathak AK; Mukherjee T; Maity DK
J Phys Chem A; 2008 Nov; 112(47):12037-44. PubMed ID: 18986129
[TBL] [Abstract][Full Text] [Related]
19. Assessment of multicoefficient correlation methods, second-order Møller-Plesset perturbation theory, and density functional theory for H3O(+)(H2O)n (n = 1-5) and OH(-)(H2O)n (n = 1-4).
Dahlke EE; Orthmeyer MA; Truhlar DG
J Phys Chem B; 2008 Feb; 112(8):2372-81. PubMed ID: 18247594
[TBL] [Abstract][Full Text] [Related]
20. Infrared spectra and ab initio calculations for the F- -(CH4)n (n = 1-8) anion clusters.
Loh ZM; Wilson RL; Wild DA; Bieske EJ; Lisy JM; Njegic B; Gordon MS
J Phys Chem A; 2006 Dec; 110(51):13736-43. PubMed ID: 17181329
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]