1159 related articles for article (PubMed ID: 19459665)
1. Thermochemistry of the HOSO radical, a key intermediate in fossil fuel combustion.
Wheeler SE; Schaefer HF
J Phys Chem A; 2009 Jun; 113(24):6779-88. PubMed ID: 19459665
[TBL] [Abstract][Full Text] [Related]
2. Thermochemistry of key soot formation intermediates: C3H3 isomers.
Wheeler SE; Robertson KA; Allen WD; Schaefer HF; Bomble YJ; Stanton JF
J Phys Chem A; 2007 May; 111(19):3819-30. PubMed ID: 17402717
[TBL] [Abstract][Full Text] [Related]
3. Enthalpy of formation and anharmonic force field of diacetylene.
Simmonett AC; Schaefer HF; Allen WD
J Chem Phys; 2009 Jan; 130(4):044301. PubMed ID: 19191379
[TBL] [Abstract][Full Text] [Related]
4. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.
Schuurman MS; Muir SR; Allen WD; Schaefer HF
J Chem Phys; 2004 Jun; 120(24):11586-99. PubMed ID: 15268193
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Structures and energetics of H(6)(+) clusters.
Hao Q; Simmonett AC; Yamaguchi Y; Fang DC; Schaefer HF
J Phys Chem A; 2009 Dec; 113(48):13608-20. PubMed ID: 19852448
[TBL] [Abstract][Full Text] [Related]
7. The problematic C2H4+F2 reaction barrier.
Feng H; Allen WD
J Chem Phys; 2010 Mar; 132(9):094304. PubMed ID: 20210395
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. 1-Germavinylidene (Ge═CH2), germyne (HGeCH), and 2-germavinylidene (H2Ge═C) molecules and isomerization reactions among them: anharmonic rovibrational analyses.
Hao Q; Lu T; Wilke JJ; Simmonett AC; Yamaguchi Y; Fang DC; Schaefer HF
J Phys Chem A; 2012 May; 116(18):4578-89. PubMed ID: 22490267
[TBL] [Abstract][Full Text] [Related]
10. Protonated carbonyl sulfide: prospects for the spectroscopic observation of the elusive HSCO+ isomer.
Wheeler SE; Yamaguchi Y; Schaefer HF
J Chem Phys; 2006 Jan; 124(4):044322. PubMed ID: 16460177
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. 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]
13. 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]
14. Heat of formation of the HOSO2 radical from accurate quantum chemical calculations.
Klopper W; Tew DP; González-García N; Olzmann M
J Chem Phys; 2008 Sep; 129(11):114308. PubMed ID: 19044961
[TBL] [Abstract][Full Text] [Related]
15. Accurate thermochemistry and spectroscopy of the oxygen-protonated sulfur dioxide isomers.
Puzzarini C
Phys Chem Chem Phys; 2011 Dec; 13(48):21319-27. PubMed ID: 22033629
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. 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]
18. The Beryllium tetramer: profiling an elusive molecule.
Ascik PN; Wilke JJ; Simmonett AC; Yamaguchi Y; Schaefer HF
J Chem Phys; 2011 Feb; 134(7):074110. PubMed ID: 21341831
[TBL] [Abstract][Full Text] [Related]
19. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
Fry JL; Nizkorodov SA; Okumura M; Roehl CM; Francisco JS; Wennberg PO
J Chem Phys; 2004 Jul; 121(3):1432-48. PubMed ID: 15260688
[TBL] [Abstract][Full Text] [Related]
20. Ab initio and density functional theory reinvestigation of gas-phase sulfuric acid monohydrate and ammonium hydrogen sulfate.
Kurtén T; Sundberg MR; Vehkamäki H; Noppel M; Blomqvist J; Kulmala M
J Phys Chem A; 2006 Jun; 110(22):7178-88. PubMed ID: 16737269
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
