Record
1 of 33 |
Author(s): Hindlyarti, L; Frandsen, F;
Livbjerg, H; Glarborg, P |
Title: Influence of potassium chloride
on moist CO oxidation under reducing conditions: Experimental and kinetic
modeling study |
Source: FUEL, 85 (7-8): 978-988 MAY 2006 |
Record
2 of 33 |
Author(s): Lee, EPF; Wright, TG |
Title: Ground electronic states of
RbO2+, CsO2+ and FrO2: The ionization energies of RbO2 and CsO2 |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
109 (14): 3257-3261 APR 14 2005 |
Record
3 of 33 |
Author(s): Glarborg, P; Marshall, P |
Title: Mechanism and modeling of the
formation of gaseous alkali sulfates |
Source: COMBUSTION AND FLAME, 141 (1-2):
22-39 APR 2005 |
Record
4 of 33 |
Author(s): Lee, EPF; Wright, TG |
Title: Structures and vibrational
frequencies of NaO3 and NaO3+: The ionization energy of NaO3 |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
108 (21): 4792-4798 MAY 27 2004 |
Record
5 of 33 |
Author(s): Sun, LX; Bu, YX; Yan, SH |
Title: Structures and bonding character
of cyclic AsO2 and AsS2 systems in the doublet state |
Source: CHEMICAL PHYSICS LETTERS, 387
(1-3): 160-164 MAR 21 2004 |
Record
6 of 33 |
Author(s): Lee, EPF; Wright, TG |
Title: The ionization energy of KO2
((X)over-tilde(2)A(2)) and dissociation energies of KO2 and KO2+ |
Source: CHEMICAL PHYSICS LETTERS, 363
(1-2): 139-144 SEP 2 2002 |
Record
7 of 33 |
Author(s): Bu, YX |
Title: The bonding character of AlSO
isomers in quartet excited states: Ab initio and density functional theory
studies |
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 87 (4): 181-191 APR 5 2002 |
Record
8 of 33 |
Author(s): Braida, B; Lauvergnat, D;
Hiberty, PC |
Title: Symmetry-breaking and
near-symmetry-breaking in three-electron-bonded radical cations |
Source: JOURNAL OF CHEMICAL PHYSICS, 115
(1): 90-102 JUL 1 2001 |
Record
9 of 33 |
Author(s): Bu, YX |
Title: Theoretical prediction of the
state-state correlation among doublet state AlSO isomers |
Source: CHEMICAL PHYSICS LETTERS, 338
(2-3): 142-150 APR 20 2001 |
Record
10 of 33 |
Author(s): Bu, YX; Chan, DZ; Song, XY |
Title: The bonding character of the
cyclic AlO2 and AIS(2) systems: comparison investigation at DFT and the
electron correlation levels |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 541: 89-99 MAY 31 2001 |
Record
11 of 33 |
Author(s): Bu, YX; Chan, DZ; Song, XY |
Title: Theoretical investigation of the
cyclic GaO2 and GaS2 molecules at DFT and correlated wave function levels |
Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 81 (3): 222-231 JAN 20 2001 |
Record
12 of 33 |
Author(s): Bu, YX; Song, XY |
Title: Structural analysis of the
cyclic AlO2 and AlS2 systems in doublet and quartet states at density
functional theory and the electron correlation levels |
Source: JOURNAL OF CHEMICAL PHYSICS, 113
(10): 4216-4229 SEP 8 2000 |
Record
13 of 33 |
Author(s): Bu, YX |
Title: The bonding character of the
cyclic AlSO and GaSO species: ab initio investigations at density functional
theory and the electron correlation levels |
Source: CHEMICAL PHYSICS LETTERS, 322
(6): 503-512 JUN 2 2000 |
Record
14 of 33 |
Author(s): Bu, YX; Song, XY; Liu, CB |
Title: Theoretical prediction of the
structures and properties of cyclic AlS2 and GaS2 systems at density
functional theory and all-electron correlation levels |
Source: CHEMICAL PHYSICS LETTERS, 319
(5-6): 725-732 MAR 24 2000 |
Record
15 of 33 |
Author(s): Bruna, PJ; Grein, F |
Title: Theoretical study of the
vertical electronic spectra of O-2(-) and the superoxides LiO2 and NaO2 |
Source: MOLECULAR PHYSICS, 97 (3):
321-328 AUG 10 1999 |
Record
16 of 33 |
Author(s): Bruna, PJ; Grein, F |
Title: Electron-spin magnetic moments
(g factors) of the oxides LiO, NaO, and the superoxides LiO2, NaO2. An ab
initio study |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (17): 3294-3301 APR 29 1999 |
Record
17 of 33 |
Author(s): Lee, EPF; Soldan, P; Wright, TG |
Title: The heat of formation of
NaO2+(X-3 Sigma(-)) and NaO2((X)over-tilde(2)A(2)) |
Source: CHEMICAL PHYSICS LETTERS, 301
(3-4): 317-324 FEB 26 1999 |
Record
18 of 33 |
Author(s): Elliott, SD; Ahlrichs, R |
Title: An ab initio study of the
monoxides and dioxides of sodium |
Source: JOURNAL OF CHEMICAL PHYSICS, 109
(11): 4267-4280 SEP 15 1998 |
Record
19 of 33 |
Author(s): Archibong, EF; St-Amant, A |
Title: The cyclic MO2 (M = Al, Ga)
systems: CCSD(T) and DFT studies of their structures, harmonic vibrational
frequencies, and dissociation energies |
Source: CHEMICAL PHYSICS LETTERS, 284
(5-6): 331-338 MAR 6 1998 |
Record
20 of 33 |
Author(s): Archibong, EF; Leszczynski, J;
Sullivan, R |
Title: Cyclic-AlO2 revisited |
Source: JOURNAL OF MOLECULAR
STRUCTURE-THEOCHEM, 425 (1-2): 123-128 FEB 19 1998 |
Record
21 of 33 |
Author(s): Lee, EPF; Wright, TG |
Title: A studs of the X(2)A(2) state of
KO2 using ab initio and density functional theory: The equilibrium geometry
and vibrational frequencies |
Source: JOURNAL OF PHYSICAL CHEMISTRY A,
102 (6): 1036-1040 FEB 5 1998 |
Record
22 of 33 |
Author(s): Crawford, TD; Stanton, JF;
Allen, WD; Schaefer, HF |
Title: Hartree-Fock orbital instability
envelopes in highly correlated single-reference wave functions |
Source: JOURNAL OF CHEMICAL PHYSICS, 107
(24): 10626-10632 DEC 22 1997 |
Record
23 of 33 |
Author(s): Xie, YM; Allen, WD; Yamaguchi,
Y; Schaefer, HF |
Title: Is the oxywater radical cation
more stable than neutral oxywater? |
Source: JOURNAL OF CHEMICAL PHYSICS, 104
(19): 7615-7623 MAY 15 1996 |
Record
24 of 33 |
Author(s): Tsai, HH; Hamilton, TP; Tsai,
JHM; Harrison, JG; Beckman, JS |
Title: Comparison of ab initio and
density functional theory for alkali peroxynitrite: A highly correlated
system with Hartree-Fock instability |
Source: JOURNAL OF PHYSICAL CHEMISTRY,
100 (17): 6942-6949 APR 25 1996 |
Record
25 of 33 |
Author(s): LO, WJ; LEE, YP; TSAI, JHM;
TSAI, HH; HAMILTON, TP; HARRISON, JG; BECKMAN, JS |
Title: INFRARED-ABSORPTION OF
CIS-ALKALI-METAL AND TRANS-ALKALI-METAL PEROXYNITRITES (MOONO, M=LI, NA, AND
K) IN SOLID ARGON |
Source: JOURNAL OF CHEMICAL PHYSICS, 103
(10): 4026-4034 SEP 8 1995 |
Record
26 of 33 |
Author(s): VINCKIER, C; REMEYSEN, J |
Title: A KINETIC-STUDY OF THE
ASSOCIATION REACTION CA(S-1)+O-2+HE-]CAO2+HE IN THE TEMPERATURE-RANGE FROM
303-K TO 986-K |
Source: JOURNAL OF PHYSICAL CHEMISTRY,
98 (41): 10535-10538 OCT 13 1994 |
Record
27 of 33 |
Author(s): PARTRIDGE, H; BAUSCHLICHER, CW;
LANGHOFF, SR |
Title: AB-INITIO ELECTRONIC-STRUCTURE
STUDIES IN MOLECULAR-SPECTROSCOPY AND CHEMICAL THERMODYNAMICS |
Source: COMPUTER PHYSICS COMMUNICATIONS,
78 (3): 223-237 JAN 1994 |
Record
28 of 33 |
Author(s): SCHOFIELD, K |
Title: THE POSSIBLE RESURRECTION OF THE
CHAPMAN MECHANISM FOR ATMOSPHERIC SODIUM CHEMILUMINESCENCE AND RUMINATIONS ON
NAO REACTION DYNAMICS |
Source: INTERNATIONAL JOURNAL OF
CHEMICAL KINETICS, 25 (9): 719-743 SEP 1993 |
Record
29 of 33 |
Author(s): FUTERKO, PM; FONTIJN, A |
Title: ACTIVATION BARRIERS FOR SERIES
OF EXOTHERMIC HOMOLOGOUS REACTIONS .3. REACTIONS OF S2 METAL ATOMS WITH N2O
AND O2 |
Source: JOURNAL OF CHEMICAL PHYSICS, 98
(9): 7004-7011 MAY 1 1993 |
Record
30 of 33 |
Author(s): HILDENBRAND, DL; LAU, KH |
Title: MASS-SPECTRUM AND SUBLIMATION
PRESSURE OF SODIUM-OXIDE VAPOR - STABILITY OF THE SUPEROXIDE MOLECULE NAO2 |
Source: JOURNAL OF CHEMICAL PHYSICS, 98
(5): 4076-4081 MAR 1 1993 |
Record
31 of 33 |
Author(s): WRIGHT, TG; ELLIS, AM; DYKE, JM |
Title: A STUDY OF THE PRODUCTS OF THE
GAS-PHASE REACTIONS M+N2O AND M+O3, WHERE M=NA OR K, WITH ULTRAVIOLET
PHOTOELECTRON-SPECTROSCOPY |
Source: JOURNAL OF CHEMICAL PHYSICS, 98
(4): 2891-2907 FEB 15 1993 |
Record
32 of 33 |
Author(s): BAUSCHLICHER, CW; SODUPE, M;
PARTRIDGE, H; LANGHOFF, SR |
Title: THEORETICAL-STUDY OF THE
(2)A(2)-(2)B(2) SEPARATION OF THE ALKALI SUPEROXIDES |
Source: CHEMICAL PHYSICS LETTERS, 197
(3): 213-216 SEP 11 1992 |
Record
33 of 33 |
Author(s): PARTRIDGE, H; BAUSCHLICHER, CW;
SODUPE, M; LANGHOFF, SR |
Title: THEORETICAL DETERMINATION OF THE
ALKALI-METAL SUPEROXIDE BOND-ENERGIES |
Source: CHEMICAL PHYSICS LETTERS, 195
(2-3): 200-206 JUL 17 1992 |