117 related articles for article (PubMed ID: 21428388)
1. High-accuracy theoretical thermochemistry of atmospherically important nitrogen oxide derivatives.
Szakács P; Csontos J; Das S; Kállay M
J Phys Chem A; 2011 Apr; 115(14):3144-53. PubMed ID: 21428388
[TBL] [Abstract][Full Text] [Related]
2. High-accuracy theoretical thermochemistry of atmospherically important sulfur-containing molecules.
Nagy B; Szakács P; Csontos J; Rolik Z; Tasi G; Kállay M
J Phys Chem A; 2011 Jul; 115(26):7823-33. PubMed ID: 21615129
[TBL] [Abstract][Full Text] [Related]
3. Thermochemistry of radicals and molecules relevant to atmospheric chemistry: determination of group additivity values using G3//B3LYP theory.
Khan SS; Yu X; Wade JR; Malmgren RD; Broadbelt LJ
J Phys Chem A; 2009 Apr; 113(17):5176-94. PubMed ID: 19338326
[TBL] [Abstract][Full Text] [Related]
4. High-accuracy thermochemistry of atmospherically important fluorinated and chlorinated methane derivatives.
Csontos J; Rolik Z; Das S; Kállay M
J Phys Chem A; 2010 Dec; 114(50):13093-103. PubMed ID: 21121647
[TBL] [Abstract][Full Text] [Related]
5. Molecular structure and conformational composition of 1,3-dihydroxyacetone studied by combined analysis of gas-phase electron diffraction data, rotational constants, and results of theoretical calculations. Ideal gas thermodynamic properties of 1,3-dihydroxyacetone.
Dorofeeva OV; Vogt N; Vogt J; Popik MV; Rykov AN; Vilkov LV
J Phys Chem A; 2007 Jul; 111(28):6434-42. PubMed ID: 17595068
[TBL] [Abstract][Full Text] [Related]
6. Calculation of thermodynamic properties of species of biochemical reactants using the inverse Legendre transform.
Alberty RA
J Phys Chem B; 2005 May; 109(18):9132-9. PubMed ID: 16852086
[TBL] [Abstract][Full Text] [Related]
7. Thermochemistry of 2- and 3-thiopheneacetic acids: calorimetric and computational study.
Temprado M; Roux MV; Jiménez P; Foces-Foces C; Notario R
J Phys Chem A; 2008 Oct; 112(41):10378-85. PubMed ID: 18816026
[TBL] [Abstract][Full Text] [Related]
8. Theoretical study of chlorine nitrates: implications for stratospheric chlorine chemistry.
Parthiban S; Lee TJ; Guha S; Francisco JS
J Am Chem Soc; 2003 Aug; 125(34):10446-58. PubMed ID: 12926970
[TBL] [Abstract][Full Text] [Related]
9. 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]
10. Kinetics, mechanism, and thermochemistry of the gas-phase reaction of atomic chlorine with pyridine.
Zhao Z; Huskey DT; Olsen KJ; Nicovich JM; McKee ML; Wine PH
Phys Chem Chem Phys; 2007 Aug; 9(31):4383-94. PubMed ID: 17687485
[TBL] [Abstract][Full Text] [Related]
11. High-accuracy extrapolated ab initio thermochemistry of the propargyl radical and the singlet C(3)H(2) carbenes.
Vázquez J; Harding ME; Gauss J; Stanton JF
J Phys Chem A; 2009 Nov; 113(45):12447-53. PubMed ID: 19583197
[TBL] [Abstract][Full Text] [Related]
12. Quantum mechanical determinations of reaction mechanisms, acid base, and redox properties of nitrogen oxides and their donors.
Dutton AS; Fukuto JM; Houk KN
Methods Enzymol; 2005; 396():26-44. PubMed ID: 16291218
[TBL] [Abstract][Full Text] [Related]
13. Chelate effect and thermodynamics of metal complex formation in solution: a quantum chemical study.
Vallet V; Wahlgren U; Grenthe I
J Am Chem Soc; 2003 Dec; 125(48):14941-50. PubMed ID: 14640672
[TBL] [Abstract][Full Text] [Related]
14. Efficient calculation of heats of formation.
Ohlinger WS; Klunzinger PE; Deppmeier BJ; Hehre WJ
J Phys Chem A; 2009 Mar; 113(10):2165-75. PubMed ID: 19222177
[TBL] [Abstract][Full Text] [Related]
15. Acid-base thermochemistry of gaseous aliphatic α-aminoacids.
Bouchoux G; Huang S; Inda BS
Phys Chem Chem Phys; 2011 Jan; 13(2):651-68. PubMed ID: 21038045
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Quantum chemical calculations on a selection of iodine-containing species (IO, OIO, INO3, (IO)2, I2O3, I2O4 and I2O5) of importance in the atmosphere.
Kaltsoyannis N; Plane JM
Phys Chem Chem Phys; 2008 Apr; 10(13):1723-33. PubMed ID: 18350176
[TBL] [Abstract][Full Text] [Related]
18. Thermochemistry and UV spectroscopy of alkyl peroxynitrates.
Buendía-Atencio C; Leyva V; González L
J Phys Chem A; 2010 Sep; 114(35):9537-44. PubMed ID: 20704316
[TBL] [Abstract][Full Text] [Related]
19. Quasiclassical dynamics and kinetics of the N+NO-->N(2)+O, NO+N atmospheric reactions.
Gamallo P; Martínez R; Sayós R; González M
J Chem Phys; 2010 Apr; 132(14):144304. PubMed ID: 20405993
[TBL] [Abstract][Full Text] [Related]
20. Thermochemistry of ammonium nitrate, NH₄NO₃, in the gas phase.
Irikura KK
J Phys Chem A; 2010 Nov; 114(43):11651-3. PubMed ID: 20929227
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]