被引用文献リスト （2008年4月14日）
A theoretical study of thermal
decomposition of CF3CO, C2F5CO and C3F7CO
Author(s): Setokuchi, O; Kutsuna, S;
Sato, M
Source: CHEMICAL PHYSICS LETTERS Volume: 429
Issue: 4-6 Pages: 360-364 Published: OCT 5 2006
Times Cited: 1
1. Title: Comment on "Atmospheric chemistry
of linear perfluorinated aldehydes: Dissociation kinetics of CnF2n+1CO
radicals"
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
112 Issue: 3 Pages: 576-577 Published: JAN 24 2008
Direct dynamics of an alkoxy radical
(CH3O, C2H5O, and i-C3H7O) reaction with an oxygen molecule , Author(s): Setokuchi, O; Sato. M
Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 106 Issue: 35 Pages: 8124-8132
Published: SEP 5 2002
Times Cited: 8
1.
Title: Atmospheric deuterium fractionation: HCHO and HCDO yields in the CH2DO
+ O2 reaction
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ATMOSPHERIC CHEMISTRY AND PHYSICS
Volume: 7 Issue: 22 Pages: 5873-5881 Published: 2007
2. Title: DFT study on pathways of partial
oxidation of DME under cold plasma conditions
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Pan YX, Liu CJ
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FUEL PROCESSING TECHNOLOGY Volume:
88 Issue: 10 Pages: 967-976 Published: OCT 2007
3. Title: Laser-induced fluorescence spectra of
4-methylcyclohexoxy radical and perdeuterated cyclohexoxy radical and direct
kinetic studies of their reactions with O2
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
109 Issue: 41 Pages: 9232-9240 Published: OCT 20 2005
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Title: Hybrid DFT study of the mechanism of quercetin 2,3-dioxygenase
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Siegbahn PEM
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INORGANIC CHEMISTRY Volume: 43 Issue: 19
Pages: 5944-5953 Published: SEP 20 2004
5.
Title: LIF spectra of cyclohexoxy radical and direct kinetic studies of
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
108 Issue: 3 Pages: 447-454 Published: JAN 22 2004
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Title: A theoretical study on the beta-C-H fission of ethoxy radical
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Zhang Y, Zhang SW, Li QS
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CHEMICAL PHYSICS Volume: 296 Issue: 1
Pages: 79-86 Published: JAN 5 2004
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Title: The atmospheric chemistry of alkoxy radicals
Author(s): Orlando JJ, Tyndall GS, Wallington TJ
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CHEMICAL REVIEWS Volume: 103 Issue: 12
Pages: 4657-4689 Published: DEC
2003
8.
Title: Photodissociation dynamics of 1-propanol and 2-propanol at 193.3
nm
Author(s):
Zhou WD, Yuan Y, Zhang JS
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JOURNAL OF CHEMICAL PHYSICS Volume:
119 Issue: 14 Pages: 7179-7187 Published: OCT 8 2003
A theoretical study of the potential
energy surface and rate constant for an O(3P) + HO2 reaction
Author(s): Setokuchi, O; Sato, M;
Matuzawa, S
Source: JOURNAL OF PHYSICAL CHEMISTRY
A Volume: 104 Issue: 14
Pages: 3204-3210 Published: APR 13
2000
Times Cited: 21
1. Title: Accurate thermochemistry from quantum
chemical calculations?
Author(s):
Fabian WMF
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MONATSHEFTE FUR CHEMIE Volume: 139 Issue: 4
Pages: 309-318 Published: APR
2008
2.
Title: Determining the energy gap between the cis and trans isomers of
HO3 using geometry optimization within the anti-hermitian contracted
schrodinger and coupled cluster methods
Author(s):
Mazziotti DA
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
111 Issue: 49 Pages: 12635-12640 Published: DEC 13 2007
3. Title: Infrared action Spectroscopy and
dissociation dynamics of the HOOO radical
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Derro EL, Murray C, Sechler TD, et al.
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
111 Issue: 45 Pages: 11592-11601 Published: NOV 15 2007
4. Title: On the nature of the unusually long OO
bond in HO3 and HO4 radicals
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
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Title: The gas-phase reaction between O3 and HO radical: A
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Author(s):
Mansergas A, Anglada JM
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CHEMPHYSCHEM Volume: 8 Issue: 10
Pages: 1534-1539 Published: JUL 16 2007
6. Title: Stability of the hydrogen trioxy
radical via infrared action spectroscopy
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
111 Issue: 22 Pages: 4727-4730 Published: JUN 7 2007
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Title: Ab initio study on the decomposition of first excited state HOOO
radicals
Author(s):
Yang J, Li QS, Zhang SW
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume: 9 Issue: 4 Pages: 466-469 Published: 2007
8.Title:
Structure of the HOOO radical in liquid water: A theoretical study
Author(s):
Chalmet S, Ruiz-Lopez MF
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CHEMPHYSCHEM Volume: 7 Issue: 2
Pages: 463-467 Published: FEB 13 2006
9. Title: Stationary points on the energy
hypersurface of the reaction O3 + H･ -> [(O3H)-O･]* <-> O2 +(OH) O･ and thermodynamic functions of (O3H)-O-center dot at G3MP2B3, CCSD(T)-CBS (W1U) and MR-ACPF-CBS levels of
theory
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Fabian WMF, Kalcher J, Janoschek R
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THEORETICAL CHEMISTRY ACCOUNTS Volume:
114 Issue: 1-3 Pages: 182-188 Published: SEP 2005
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Title: Evaluated kinetic data for combustion modeling: Supplement II
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JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA Volume: 34
Issue: 3 Pages: 757-1397 Published: 2005
11.
Title: The rotational spectrum and structure of the HOOO radical
Author(s):
Suma K, Sumiyoshi Y, Endo Y
Source:
SCIENCE Volume: 308 Issue: 5730
Pages: 1885-1886 Published: JUN 24 2005
12. Title:
Dynamics study of the O+HO2 reaction using two DMBE potential energy surfaces: The role of vibrational
excitation
Author(s):
Silveira DM, Caridade PJSB, Varandas AJC
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
108 Issue: 41 Pages: 8721-8730 Published: OCT 14 2004
13.
Title: Are vibrationally excited molecules a clue for the "O-3
deficit problem" and "HOx dilemma" in the middle atmosphere?
Author(s):
Varandas AJC
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
108 Issue: 5 Pages: 758-769 Published: FEB 5 2004
14.
Title: The impervious route to the elusive HOOO- anion
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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
Volume: 228 Issue: 2-3 Pages: 717-722 Published: AUG 15 2003
15. Title: Steady-state distributions of O-2 and
OH in the high atmosphere and implications in the ozone chemistry
Author(s):
Varandas AJC
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
107 Issue: 19 Pages: 3769-3777 Published: MAY 15 2003
16. Title: A DFT and MP2 theoretical study on the
structure and spectroscopy of HO3, HO3+, HO3-
Author(s): Pei KM, Zhang XY, Kong XL, et al.
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CHINESE JOURNAL OF CHEMICAL PHYSICS
Volume: 15 Issue: 4 Pages: 263-268 Published: AUG 2002
17. Title: Complete basis set and density
functional determination of the enthalpy of formation of the controversial HO3
radical: a discrepancy between theory and experiment
Author(s): Denis PA, Kieninger M, Ventura ON, et al.
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CHEMICAL PHYSICS LETTERS Volume:
365 Issue: 5-6 Pages: 440-449 Published: NOV 13 2002
18.
Title: HOx catalytic cycles for ozone depletion hiding?
Author(s):
Varandas AJC
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CHEMPHYSCHEM Volume: 3 Issue: 5
Pages: 433-+ Published: MAY 17 2002
19. Title: A VTST study of the H + O3
and O + HO2 reactions using a six-dimensional DMBE potential energy
surface for ground state HO3
Author(s):
Fernandez-Ramos A, Varandas AJC
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
106 Issue: 16 Pages: 4077-4083 Published: APR 25 2002
20.
Title: Ab initio theoretical calculation and potential energy surface
for ground-state HO3
Author(s):
Yu HG, Varandas AJC
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CHEMICAL PHYSICS LETTERS Volume:
334 Issue: 1-3 Pages: 173-178 Published: FEB 2 2001
21.
Title: The HOOO radical. A matrix isolation study
Author(s):
Nelander B, Engdahl A, Svensson T
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CHEMICAL PHYSICS LETTERS Volume:
332 Issue: 3-4 Pages: 403-408 Published: DEC 22 2000
MRMP study of radical photodissociation reaction thresholds for acetaldehyde
and acetone
Author(s): Setokuchi, O; Matuzawa, S; Shimizu, Y
Source: CHEMICAL PHYSICS LETTERS Volume: 284
Issue: 1-2 Pages: 19-23 Published: FEB 20 1998
Times Cited: 16
1. Title: Ab initio studies on the photochemical
reactions
Author(s):
Ding WJ, Fang WH
Source:
PROGRESS IN CHEMISTRY Volume: 19 Issue: 10
Pages: 1449-1459 Published: OCT
2007
2.
Title: Photo dissociation of acetaldehyde at 205 nm: The H atom channels
Author(s):
Kang TY, Kang SW, Kim HL
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CHEMICAL PHYSICS LETTERS Volume:
434 Issue: 1-3 Pages: 6-10
Published: JAN 26 2007
3.
Title: Nonadiabatic effects in C-Br bond scission in the
photodissociation of bromoacetyl chloride
Author(s):
Valero R, Truhlar DG
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JOURNAL OF CHEMICAL PHYSICS Volume:
125 Issue: 19 Article Number:
194305 Published: NOV 21 2006
4.
Title: A classical trajectory study of the photodissociation of T-1
acetaldehyde: The transition from impulsive to statistical dynamics
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Thompson KC, Crittenden DL, Kable SH, et al.
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JOURNAL OF CHEMICAL PHYSICS Volume:
124 Issue: 4 Article Number:
044302 Published: JAN 28 2006
5.
Title: Atmospheric chemistry of CHF2CHO: Study of the IR and UV-vis absorption cross sections, photolysis,
and OH-, Cl-, and NO3-initiated
oxidation
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
109 Issue: 16 Pages: 3652-3662 Published: APR 28 2005
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Title: A CASSCF theoretical study of the vibrational frequencies and
structure of formaldehyde, acetaldehyde and acetone valence excited states
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JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume: 718 Issue: 1-3 Pages: 55-69 Published: MAR 31 2005
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Title: Ab initio n-electron valence state perturbation theory study of
the adiabatic transitions in carbonyl molecules: Formaldehyde, acetaldehyde,
and acetone
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JOURNAL OF CHEMICAL PHYSICS Volume:
122 Issue: 11 Article Number:
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8. Title: Hydrogen atom formation in the
photolysis of acetone at 193 nm
Author(s):
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JOURNAL OF PHYSICAL CHEMISTRY A Volume:
108 Issue: 39 Pages: 8002-8008 Published: SEP 30 2004
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Title: Photochemistry of butyrophenone: Combined complete-active-space
self-consistent field and density functional theory study of Norrish type I and
II reactions
Author(s):
He HY, Fang WH, Phillips DL
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108 Issue: 25 Pages: 5386-5392 Published: JUN 24 2004
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Title: A direct classical trajectory study of the acetone
photodissociation on the triplet surface
Author(s):
Martinez-Nunez E, Fernandez-Ramos A, Cordeiro MNDS, et al.
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JOURNAL OF CHEMICAL PHYSICS Volume:
119 Issue: 20 Pages: 10618-10625 Published: NOV 22 2003
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Title: Comment on Chem. Phys. Lett. 371 (2003) 568: Barrier height for
dissociation of acetaldehyde, CH3CHO -> CH3+HCO, in the triplet state T-1
Author(s):
Huber JR
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CHEMICAL PHYSICS LETTERS Volume:
377 Issue: 3-4 Pages: 481-482 Published: AUG 15 2003
12.
Title: A direct DFT dynamics study of the photodissociation of triplet
acetaldehyde
Author(s):
Cordeiro MNDS, Martinez-Nunez E, Fernandez-Ramos A, et al.
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CHEMICAL PHYSICS LETTERS Volume:
375 Issue: 5-6 Pages: 591-597 Published: JUL 10 2003
13.
Title: Ab initio studies for the photodissociation mechanism of
hydroxyacetone
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Wu Y, Xie DQ, Xue Y
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JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume: 24 Issue: 8 Pages: 931-938 Published: JUN 2003
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Title: Photodissociation of acetaldehyde, CH3CHO -> CH3+HCO: direct
ab initio molecular dynamics study
Author(s):
Kurosaki Y, Yokoyama K
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CHEMICAL PHYSICS LETTERS Volume:
371 Issue: 5-6 Pages: 568-575 Published: APR 14 2003
15.
Title: Femtosecond probing of photodissociation dynamics in acyl
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115 Issue: 23 Pages: 10656-10670 Published: DEC 15 2001
16. Title: Femtochemistry of Norrish type-1
reactions: I. Experimental and theoretical studies of acetone and related
ketones on the S-1 surface
Author(s):
Diau EWG, Kotting C, Zewail AH
Source: CHEMPHYSCHEM Volume: 2
Issue: 5 Pages: 273-293 Published: MAY 18 2001