548 related articles for article (PubMed ID: 17949166)
1. Coupled cluster investigation on the low-lying electronic states of CuCN and CuNC and the ground state barrier to isomerization.
Paul A; Yamaguchi Y; Schaefer HF
J Chem Phys; 2007 Oct; 127(15):154324. PubMed ID: 17949166
[TBL] [Abstract][Full Text] [Related]
2. The low-lying electronic states of nickel cyanide and isocyanide: A theoretical investigation.
Paul A; Yamaguchi Y; Schaefer HF; Peterson KA
J Chem Phys; 2006 Jan; 124(3):034310. PubMed ID: 16438586
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH).
Wang S; Paul A; DeYonker NJ; Yamaguchi Y; Schaefer HF
J Chem Phys; 2005 Jul; 123(1):014313. PubMed ID: 16035841
[TBL] [Abstract][Full Text] [Related]
5. Application of equation-of-motion coupled-cluster methods to low-lying singlet and triplet electronic states of HBO and BOH.
DeYonker NJ; Li S; Yamaguchi Y; Schaefer HF; Crawford TD; King RA; Peterson KA
J Chem Phys; 2005 Jun; 122(23):234316. PubMed ID: 16008450
[TBL] [Abstract][Full Text] [Related]
6. Low-lying electronic states of FeNC and FeCN: a theoretical journey into isomerization and quartet/sextet competition.
DeYonker NJ; Yamaguchi Y; Allen WD; Pak C; Schaefer HF; Peterson KA
J Chem Phys; 2004 Mar; 120(10):4726-41. PubMed ID: 15267333
[TBL] [Abstract][Full Text] [Related]
7. Computational studies on the ground and excited states of BrOOBr.
Li Y; Vo CK
J Chem Phys; 2006 May; 124(20):204309. PubMed ID: 16774334
[TBL] [Abstract][Full Text] [Related]
8. The low-lying electronic excited states of NiCO.
Horny L; Paul A; Yamaguchi Y; Schaefer HF
J Chem Phys; 2004 Jul; 121(3):1412-8. PubMed ID: 15260686
[TBL] [Abstract][Full Text] [Related]
9. Characterization of the X2A1, A2B1, and X2Pi electronic states of the Ga2H molecule and the X2A' and A 2A" isomerization transition states connecting the three minima.
Wang H; Wang S; Yan G; Yamaguchi Y; Schaefer HF
J Chem Phys; 2006 Jan; 124(4):044309. PubMed ID: 16460164
[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. Triplet states of cyclopropenylidene and its isomers.
Wu Q; Cheng Q; Yamaguchi Y; Li Q; Schaefer HF
J Chem Phys; 2010 Jan; 132(4):044308. PubMed ID: 20113034
[TBL] [Abstract][Full Text] [Related]
12. 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]
13. On the ground and some low-lying excited states of ScB: a multiconfigurational study.
Cernusák I; Dallos M; Lischka H; Müller T; Uhlár M
J Chem Phys; 2007 Jun; 126(21):214311. PubMed ID: 17567200
[TBL] [Abstract][Full Text] [Related]
14. The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them.
Turney JM; Sari L; Yamaguchi Y; Schaefer HF
J Chem Phys; 2005 Mar; 122(9):094304. PubMed ID: 15836125
[TBL] [Abstract][Full Text] [Related]
15. Diphosphene and diphosphinylidene.
Lu T; Simmonett AC; Evangelista FA; Yamaguchi Y; Schaefer HF
J Phys Chem A; 2009 Nov; 113(47):13227-36. PubMed ID: 19594123
[TBL] [Abstract][Full Text] [Related]
16. Elementary constituents of microdevices: the Ge2H fragment.
Wang H; Wang S; Yamaguchi Y; Schaefer HF
J Chem Phys; 2006 Oct; 125(16):164317. PubMed ID: 17092083
[TBL] [Abstract][Full Text] [Related]
17. Extensive ab initio study of the valence and low-lying Rydberg states of BBr including spin-orbit coupling.
Yang X; Boggs JE
J Chem Phys; 2006 May; 124(19):194307. PubMed ID: 16729814
[TBL] [Abstract][Full Text] [Related]
18. MRCI study on the spectroscopic parameters and molecular constants of the X1Σ+, a3Σ+, A1Π and C1Σ- electronic states of the SiO molecule.
Shi D; Li W; Sun J; Zhu Z
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb; 87():96-105. PubMed ID: 22169566
[TBL] [Abstract][Full Text] [Related]
19. An ab initio study of the low-lying electronic states of S3.
Peterson KA; Lyons JR; Francisco JS
J Chem Phys; 2006 Aug; 125(8):084314. PubMed ID: 16965019
[TBL] [Abstract][Full Text] [Related]
20. Relativistic effects determined using the Douglas-Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials.
Yockel S; Wilson AK
J Chem Phys; 2005 May; 122(17):174310. PubMed ID: 15910035
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
