563 related articles for article (PubMed ID: 18537420)
1. Anharmonic vibrational frequencies and vibrationally averaged structures and nuclear magnetic resonance parameters of FHF-.
Hirata S; Yagi K; Perera SA; Yamazaki S; Hirao K
J Chem Phys; 2008 Jun; 128(21):214305. PubMed ID: 18537420
[TBL] [Abstract][Full Text] [Related]
2. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
Ingels JB; Turney JM; Richardson NA; Yamaguchi Y; Schaefer HF
J Chem Phys; 2006 Sep; 125(10):104306. PubMed ID: 16999525
[TBL] [Abstract][Full Text] [Related]
3. Vibrational contributions to indirect spin-spin coupling constants calculated via variational anharmonic approaches.
Hansen MB; Kongsted J; Toffoli D; Christiansen O
J Phys Chem A; 2008 Sep; 112(36):8436-45. PubMed ID: 18707069
[TBL] [Abstract][Full Text] [Related]
4. Intermolecular vibrations of (CH2)2O-HF and -DF hydrogen bonded complexes investigated by Fourier transform infrared spectroscopy and ab initio calculations.
Cirtog M; Asselin P; Soulard P; Madebène B; Alikhani ME
Phys Chem Chem Phys; 2010 Oct; 12(38):12299-307. PubMed ID: 20717572
[TBL] [Abstract][Full Text] [Related]
5. Zero-point corrections and temperature dependence of HD spin-spin coupling constants of heavy metal hydride and dihydrogen complexes calculated by vibrational averaging.
Mort BC; Autschbach J
J Am Chem Soc; 2006 Aug; 128(31):10060-72. PubMed ID: 16881634
[TBL] [Abstract][Full Text] [Related]
6. A study of the ground and excited states of Al3 and Al3(-). I. 488 nm anion photoelectron spectrum.
Villalta PW; Leopold DG
J Chem Phys; 2009 Jan; 130(2):024303. PubMed ID: 19154024
[TBL] [Abstract][Full Text] [Related]
7. The highly anharmonic BH5 potential energy surface characterized in the ab initio limit.
Schuurman MS; Allen WD; Schleyer Pv; Schaefer HF
J Chem Phys; 2005 Mar; 122(10):104302. PubMed ID: 15836311
[TBL] [Abstract][Full Text] [Related]
8. Vacuum ultraviolet laser pulsed field ionization-photoelectron study of cis-dichloroethene.
Lau KC; Woo HK; Wang P; Xing X; Ng CY
J Chem Phys; 2006 Jun; 124(22):224311. PubMed ID: 16784278
[TBL] [Abstract][Full Text] [Related]
9. Fermi resonance in CO2: a combined electronic coupled-cluster and vibrational configuration-interaction prediction.
Rodriguez-Garcia V; Hirata S; Yagi K; Hirao K; Taketsugu T; Schweigert I; Tasumi M
J Chem Phys; 2007 Mar; 126(12):124303. PubMed ID: 17411119
[TBL] [Abstract][Full Text] [Related]
10. Characterization of the HSiN_HNSi system in its electronic ground state.
Lind MC; Pickard FC; Ingels JB; Paul A; Yamaguchi Y; Schaefer HF
J Chem Phys; 2009 Mar; 130(10):104301. PubMed ID: 19292528
[TBL] [Abstract][Full Text] [Related]
11. The diazocarbene (CNN) molecule: characterization of the X 3Sigma- and A 3Pi electronic states.
Yamaguchi Y; Schaefer HF
J Chem Phys; 2004 May; 120(20):9536-46. PubMed ID: 15267965
[TBL] [Abstract][Full Text] [Related]
12. Darling-Dennison resonance and Coriolis coupling in the bending overtones of the A 1A(u) state of acetylene, C2H2.
Merer AJ; Yamakita N; Tsuchiya S; Steeves AH; Bechtel HA; Field RW
J Chem Phys; 2008 Aug; 129(5):054304. PubMed ID: 18698897
[TBL] [Abstract][Full Text] [Related]
13. Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: the importance of the large amplitude inversion mode.
Yachmenev A; Yurchenko SN; Paidarová I; Jensen P; Thiel W; Sauer SP
J Chem Phys; 2010 Mar; 132(11):114305. PubMed ID: 20331295
[TBL] [Abstract][Full Text] [Related]
14. A theoretical anharmonic study of the infrared absorption spectra of FHF-, FDF-, OHF-, and ODF- anions.
Elghobashi N; González L
J Chem Phys; 2006 May; 124(17):174308. PubMed ID: 16689572
[TBL] [Abstract][Full Text] [Related]
15. First-principles calculations on anharmonic vibrational frequencies of polyethylene and polyacetylene in the Gamma approximation.
Keçeli M; Hirata S; Yagi K
J Chem Phys; 2010 Jul; 133(3):034110. PubMed ID: 20649311
[TBL] [Abstract][Full Text] [Related]
16. In search of definitive signatures of the elusive NCCO radical.
Simmonett AC; Evangelista FA; Allen WD; Schaefer HF
J Chem Phys; 2007 Jul; 127(1):014306. PubMed ID: 17627345
[TBL] [Abstract][Full Text] [Related]
17. Accurate calculation of vibrational frequencies using explicitly correlated coupled-cluster theory.
Rauhut G; Knizia G; Werner HJ
J Chem Phys; 2009 Feb; 130(5):054105. PubMed ID: 19206956
[TBL] [Abstract][Full Text] [Related]
18. Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging.
Dracínský M; Kaminský J; Bour P
J Chem Phys; 2009 Mar; 130(9):094106. PubMed ID: 19275395
[TBL] [Abstract][Full Text] [Related]
19. Automatic generation of force fields and property surfaces for use in variational vibrational calculations of anharmonic vibrational energies and zero-point vibrational averaged properties.
Kongsted J; Christiansen O
J Chem Phys; 2006 Sep; 125(12):124108. PubMed ID: 17014167
[TBL] [Abstract][Full Text] [Related]
20. Born-Oppenheimer symmetry breaking in the C state of NO2: importance of static and dynamic correlation effects.
Bera PP; Yamaguchi Y; Schaefer HF; Crawford TD
J Phys Chem A; 2008 Mar; 112(12):2669-76. PubMed ID: 18311948
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
