189 related articles for article (PubMed ID: 22360183)
1. New determination of the adiabatic ionization potential of the BaOH radical from laser photoionization-molecular beam experiments and ab initio calculations.
Rossa M; Cabanillas-Vidosa I; Pino GA; Ferrero JC
J Chem Phys; 2012 Feb; 136(6):064303. PubMed ID: 22360183
[TBL] [Abstract][Full Text] [Related]
2. Hydration of barium monohydroxide in (H2O)(1-3) clusters: theory and experiment.
Cabanillas-Vidosa I; Rossa M; Pino GA; Ferrero JC; Cobos CJ
J Phys Chem A; 2013 Jun; 117(24):4997-5006. PubMed ID: 23688181
[TBL] [Abstract][Full Text] [Related]
3. Photoionization and ab initio study of Ba(H2O)n (n = 1-4) clusters.
Cabanillas-Vidosa I; Rossa M; Pino GA; Ferrero JC; Cobos CJ
Phys Chem Chem Phys; 2012 Mar; 14(12):4276-86. PubMed ID: 22354472
[TBL] [Abstract][Full Text] [Related]
4. Ionization thresholds of small carbon clusters: tunable VUV experiments and theory.
Belau L; Wheeler SE; Ticknor BW; Ahmed M; Leone SR; Allen WD; Schaefer HF; Duncan MA
J Am Chem Soc; 2007 Aug; 129(33):10229-43. PubMed ID: 17655303
[TBL] [Abstract][Full Text] [Related]
5. Theoretical study of the spectroscopically relevant parameters for the detection of HNP(q) and HPN(q) (q = 0, +1, -1) in the gas phase.
Hochlaf M; Linguerri R; Dalal SS; Francisco JS
J Chem Phys; 2012 Jun; 136(24):244311. PubMed ID: 22755578
[TBL] [Abstract][Full Text] [Related]
6. Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals.
Lau KC; Zheng W; Wong NB; Li WK
J Chem Phys; 2007 Oct; 127(15):154302. PubMed ID: 17949144
[TBL] [Abstract][Full Text] [Related]
7. Unexpected size distribution of Ba(H2O)n clusters: why is the intensity of the Ba(H2O)1 cluster anomalously low?
Cabanillas-Vidosa I; Rossa M; Pino GA; Ferrero JC
Phys Chem Chem Phys; 2011 Aug; 13(29):13387-94. PubMed ID: 21701713
[TBL] [Abstract][Full Text] [Related]
8. Identification and chemistry of C4H3 and C4H5 isomers in fuel-rich flames.
Hansen N; Klippenstein SJ; Taatjes CA; Miller JA; Wang J; Cool TA; Yang B; Yang R; Wei L; Huang C; Wang J; Qi F; Law ME; Westmoreland PR
J Phys Chem A; 2006 Mar; 110(10):3670-8. PubMed ID: 16526650
[TBL] [Abstract][Full Text] [Related]
9. Ab initio calculations for the Zn 2s and 2p core level binding energies in Zn oxo compounds and ZnO.
Rössler N; Kotsis K; Staemmler V
Phys Chem Chem Phys; 2006 Feb; 8(6):697-706. PubMed ID: 16482309
[TBL] [Abstract][Full Text] [Related]
10. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
Ramírez-Solís A; Poteau R; Vela A; Daudey JP
J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
[TBL] [Abstract][Full Text] [Related]
11. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of nickel carbide (NiC) and its cation (NiC+).
Lau KC; Chang YC; Shi X; Ng CY
J Chem Phys; 2010 Sep; 133(11):114304. PubMed ID: 20866136
[TBL] [Abstract][Full Text] [Related]
12. Photoionization of three isomers of the C9H7 radical.
Hemberger P; Steinbauer M; Schneider M; Fischer I; Johnson M; Bodi A; Gerber T
J Phys Chem A; 2010 Apr; 114(14):4698-703. PubMed ID: 19813740
[TBL] [Abstract][Full Text] [Related]
13. Ab initio study of the structure, bonding, vibrational spectra, and energetics of XBS+ (where X=H, F, and Cl).
Francisco JS
J Chem Phys; 2006 Mar; 124(11):114303. PubMed ID: 16555884
[TBL] [Abstract][Full Text] [Related]
14. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formations of iron carbide (FeC) and its cation (FeC+).
Lau KC; Chang YC; Lam CS; Ng CY
J Phys Chem A; 2009 Dec; 113(52):14321-8. PubMed ID: 19775110
[TBL] [Abstract][Full Text] [Related]
15. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
Lo PK; Lau KC
J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
[TBL] [Abstract][Full Text] [Related]
16. Pi and sigma-phenylethynyl radicals and their isomers o-, m-, and p-ethynylphenyl: structures, energetics, and electron affinities.
Sreeruttun RK; Ramasami P; Wannere CS; Simmonett AC; Schaefer HF
J Phys Chem A; 2008 Apr; 112(13):2838-45. PubMed ID: 18335906
[TBL] [Abstract][Full Text] [Related]
17. Franck-Condon simulation of the photoelectron spectrum of AsF2 and the photodetachment spectrum of AsF2(-) using ab initio calculations: ionization energy and electron affinity of AsF2.
Mok DK; Lee EP; Chau FT; Dyke JM
Phys Chem Chem Phys; 2010 Aug; 12(31):9075-87. PubMed ID: 20532314
[TBL] [Abstract][Full Text] [Related]
18. Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory.
Perczel A; Farkas O; Jákli I; Topol IA; Csizmadia IG
J Comput Chem; 2003 Jul; 24(9):1026-42. PubMed ID: 12759903
[TBL] [Abstract][Full Text] [Related]
19. Combined vacuum ultraviolet laser and synchrotron pulsed field ionization study of CH2BrCl.
Li J; Yang J; Mo Y; Lau KC; Qian XM; Song Y; Liu J; Ng CY
J Chem Phys; 2007 May; 126(18):184304. PubMed ID: 17508800
[TBL] [Abstract][Full Text] [Related]
20. Variational and diffusion Monte Carlo study of post-d group 13-17 elements.
Al-Saidi WA
J Chem Phys; 2008 Aug; 129(6):064316. PubMed ID: 18715078
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]