-
1
-
-
78649555597
-
Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Sulfur Dioxide Ab Initio and DFT Study
-
Jiang, L.; Xu, Y. S.; Ding, A. Z. Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Sulfur Dioxide Ab Initio and DFT Study J. Phys. Chem. A 2010, 114, 12452-12461
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 12452-12461
-
-
Jiang, L.1
Xu, Y.S.2
Ding, A.Z.3
-
3
-
-
84864707430
-
A New Atmospherically Relevant Oxidant of Sulphur Dioxide
-
Mauldin, R. L., III; Berndt, T.; Sipila, M.; Paasonen, P.; Petaja, T.; Kim, S.; Kurten, T.; Stratmann, F.; Kerminen, V. M.; Kulmala, M. A New Atmospherically Relevant Oxidant of Sulphur Dioxide Nature 2012, 488, 193-196
-
(2012)
Nature
, vol.488
, pp. 193-196
-
-
Mauldin III, R.L.1
Berndt, T.2
Sipila, M.3
Paasonen, P.4
Petaja, T.5
Kim, S.6
Kurten, T.7
Stratmann, F.8
Kerminen, V.M.9
Kulmala, M.10
-
5
-
-
84855849829
-
2
-
2 Science 2012, 335, 204-207
-
(2012)
Science
, vol.335
, pp. 204-207
-
-
Welz, O.1
Savee, J.D.2
Osborn, D.L.3
Vasu, S.S.4
Percival, C.J.5
Shallcross, D.E.6
Taatjes, C.A.7
-
6
-
-
79960144493
-
Effects of the Substituents on the Reactivity of Carbonyl Oxides. A Theoretical Study on the Reaction of Substituted Carbonyl Oxides with Water
-
Anglada, J. M.; Gonzalez, J.; Torrent-Sucarrat, M. Effects of the Substituents on the Reactivity of Carbonyl Oxides. A Theoretical Study on the Reaction of Substituted Carbonyl Oxides with Water Phys. Chem. Chem. Phys. 2011, 13, 13034-13045
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 13034-13045
-
-
Anglada, J.M.1
Gonzalez, J.2
Torrent-Sucarrat, M.3
-
8
-
-
79958076654
-
Adventures in Ozoneland: Down the Rabbit-Hole
-
Donahue, N. M.; Drozd, G. T.; Epstein, S. A.; Presto, A. A.; Kroll, J. H. Adventures in Ozoneland: Down the Rabbit-Hole Phys. Chem. Chem. Phys. 2011, 13, 10848-10857
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 10848-10857
-
-
Donahue, N.M.1
Drozd, G.T.2
Epstein, S.A.3
Presto, A.A.4
Kroll, J.H.5
-
9
-
-
41149104936
-
The Gas-Phase Ozonolysis of Unsaturated Volatile Organic Compounds in the Troposphere
-
Johnson, D.; Marston, G. The Gas-Phase Ozonolysis of Unsaturated Volatile Organic Compounds in the Troposphere Chem. Soc. Rev. 2008, 37, 699-716
-
(2008)
Chem. Soc. Rev.
, vol.37
, pp. 699-716
-
-
Johnson, D.1
Marston, G.2
-
10
-
-
0035810126
-
The Effect of Criegee-Intermediate Scavengers on the OH Yield from the Reaction of Ozone with 2-Methylbut-2-ene
-
Johnson, D.; Lewin, A. G.; Marston, G. The Effect of Criegee-Intermediate Scavengers on the OH Yield from the Reaction of Ozone with 2-Methylbut-2-ene J. Phys. Chem. A 2001, 105, 2933-2935
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2933-2935
-
-
Johnson, D.1
Lewin, A.G.2
Marston, G.3
-
11
-
-
84867166433
-
2
-
2 J. Phys. Chem. Lett. 2012, 3, 2892-2896
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 2892-2896
-
-
Berndt, T.1
Jokinen, T.2
Mauldin, R.L.3
Petaja, T.4
Herrmann, H.5
Junninen, H.6
Paasonen, P.7
Worsnop, D.R.8
Sipila, M.9
-
12
-
-
0000572055
-
Reactions of Criegee Intermediates in the Gas-Phase
-
Hatakeyama, S.; Akimoto, H. Reactions of Criegee Intermediates in the Gas-Phase Res. Chem. Intermed. 1994, 20, 503-524
-
(1994)
Res. Chem. Intermed.
, vol.20
, pp. 503-524
-
-
Hatakeyama, S.1
Akimoto, H.2
-
13
-
-
84863924324
-
2OO) Reactions with Acetone, Acetaldehyde, and Hexafluoroacetone
-
2OO) Reactions with Acetone, Acetaldehyde, and Hexafluoroacetone Phys. Chem. Chem. Phys. 2012, 14, 10391-10400
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 10391-10400
-
-
Taatjes, C.A.1
Welz, O.2
Eskola, A.J.3
Savee, J.D.4
Osborn, D.L.5
Lee, E.P.F.6
Dyke, J.M.7
Mok, D.W.K.8
Shallcross, D.E.9
Percival, C.J.10
-
14
-
-
84876343749
-
3CHOO
-
3CHOO Science 2013, 340, 177-180
-
(2013)
Science
, vol.340
, pp. 177-180
-
-
Taatjes, C.A.1
Welz, O.2
Eskola, A.J.3
Savee, J.D.4
Scheer, A.M.5
Shallcross, D.E.6
Rotavera, B.7
Lee, E.P.F.8
Dyke, J.M.9
Mok, D.K.W.10
-
15
-
-
0035263560
-
x Formation in the Gas-Phase Ozone-Alkene Reaction. 1. Direct, Pressure-Dependent Measurements of Prompt OH Yields
-
x Formation in the Gas-Phase Ozone-Alkene Reaction. 1. Direct, Pressure-Dependent Measurements of Prompt OH Yields J. Phys. Chem. A 2001, 105, 1554-1560
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 1554-1560
-
-
Kroll, J.H.1
Clarke, J.S.2
Donahue, N.M.3
Anderson, J.G.4
Demerjian, K.L.5
-
16
-
-
0034688426
-
Theoretical Study of Formic Acid Anhydride Formation from Carbonyl Oxide in the Atmosphere
-
Aplincourt, P.; Ruiz-Lopez, M. F. Theoretical Study of Formic Acid Anhydride Formation from Carbonyl Oxide in the Atmosphere J. Phys. Chem. A 2000, 104, 380-388
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 380-388
-
-
Aplincourt, P.1
Ruiz-Lopez, M.F.2
-
17
-
-
0034692353
-
Theoretical Investigation of Reaction Mechanisms for Carboxylic Acid Formation in the Atmosphere
-
Aplincourt, P.; Ruiz-Lopez, M. F. Theoretical Investigation of Reaction Mechanisms for Carboxylic Acid Formation in the Atmosphere J. Am. Chem. Soc. 2000, 122, 8990-8997
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 8990-8997
-
-
Aplincourt, P.1
Ruiz-Lopez, M.F.2
-
18
-
-
84881276312
-
-
MultiWell-2012.1 Software, designed and maintained by John R. Barker with contributors Nicholas F. Ortiz, Jack M. Preses, Lawrence L. Lohr, Andrea Maranzana, Philip J. Stimac, T. Lam Nguyen, and T. J. Dhilip Kumar; University of Michigan, Ann Arbor, MI
-
Barker, J. R. MultiWell-2012.1 Software, 2012, designed and maintained by John R. Barker with contributors Nicholas F. Ortiz, Jack M. Preses, Lawrence L. Lohr, Andrea Maranzana, Philip J. Stimac, T. Lam Nguyen, and T. J. Dhilip Kumar; University of Michigan, Ann Arbor, MI; http://aoss.engin.umich.edu/ multiwell/.
-
(2012)
-
-
Barker, J.R.1
-
19
-
-
84872141880
-
Which Ab Initio Wave Function Methods Are Adequate for Quantitative Calculations of the Energies of Biradicals? The Performance of Coupled-Cluster and Multi-Reference Methods Along a Single-Bond Dissociation Coordinate
-
Yang, K. R.; Jalan, A.; Green, W. H.; Truhlar, D. G. Which Ab Initio Wave Function Methods Are Adequate for Quantitative Calculations of the Energies of Biradicals? The Performance of Coupled-Cluster and Multi-Reference Methods Along a Single-Bond Dissociation Coordinate J. Chem. Theory Comput. 2013, 9, 418-431
-
(2013)
J. Chem. Theory Comput.
, vol.9
, pp. 418-431
-
-
Yang, K.R.1
Jalan, A.2
Green, W.H.3
Truhlar, D.G.4
-
21
-
-
34547698957
-
Ab Initio Methods for Reactive Potential Surfaces
-
Harding, L. B.; Klippenstein, S. J.; Jasper, A. W. Ab Initio Methods for Reactive Potential Surfaces Phys. Chem. Chem. Phys. 2007, 9, 4055-4070
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 4055-4070
-
-
Harding, L.B.1
Klippenstein, S.J.2
Jasper, A.W.3
-
23
-
-
59949093519
-
Simplified CCSD(T)-F12 Methods: Theory and Benchmarks
-
Knizia, G.; Adler, T. B.; Werner, H. J. Simplified CCSD(T)-F12 Methods: Theory and Benchmarks J. Chem. Phys. 2009, 130, 054104
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054104
-
-
Knizia, G.1
Adler, T.B.2
Werner, H.J.3
-
24
-
-
67651165403
-
Explicitly Correlated Intermolecular Distances and Interaction Energies of Hydrogen Bonded Complexes
-
Lane, J. R.; Kjaergaard, H. G. Explicitly Correlated Intermolecular Distances and Interaction Energies of Hydrogen Bonded Complexes J. Chem. Phys. 2009, 131, 034307
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 034307
-
-
Lane, J.R.1
Kjaergaard, H.G.2
-
25
-
-
70450206724
-
-
revision B.01. Gaussian, Inc. Wallingford CT
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A., Gaussian 09, revision B.01.; Gaussian, Inc.: Wallingford CT, 2010.
-
(2010)
Gaussian 09
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Scalmani, G.7
Barone, V.8
Mennucci, B.9
Petersson, G.A.10
-
26
-
-
70349238451
-
-
version 5; Semichem Inc. Shawnee Mission, KS
-
Dennington, R.; Keith, T.; Millam, J. M. GaussView5, version 5; Semichem Inc.: Shawnee Mission, KS, 2007.
-
(2007)
GaussView5
-
-
Dennington, R.1
Keith, T.2
Millam, J.M.3
-
27
-
-
84881266440
-
-
CFOUR, Coupled-Cluster Techniques for Computational Chemistry, a Quantum-Chemical Program Package; see
-
Stanton, J. F.; Gauss, J.; Harding, M. E.; Szalay, P. G.; Auer, A. A.; Bartlett, R. J.; Benedikt, U.; Berger, C.; Bernholdt, D. E.; Bomble, Y. J., CFOUR, Coupled-Cluster Techniques for Computational Chemistry, a Quantum-Chemical Program Package; see http://www.cfour.de, 2010.
-
(2010)
-
-
Stanton, J.F.1
Gauss, J.2
Harding, M.E.3
Szalay, P.G.4
Auer, A.A.5
Bartlett, R.J.6
Benedikt, U.7
Berger, C.8
Bernholdt, D.E.9
Bomble, Y.J.10
-
28
-
-
84881302183
-
-
Molpro: A Package of Ab Initio Programs for Molecular Electronic Structure Calculations, Version 2010.1; University of Cardiff: Cardiff, U.K
-
Werner, H.-J.; Knowles, P. J.; Manby, F. R.; Schütz, M.; Celani, P.; Knizia, G.; Korona, T.; Lindh, R.; Mitrushenkov, A.; Rauhut, G., Molpro: A Package of Ab Initio Programs for Molecular Electronic Structure Calculations, Version 2010.1; University of Cardiff: Cardiff, U.K., 2010; http://www.molpro. net/.
-
(2010)
-
-
Werner, H.-J.1
Knowles, P.J.2
Manby, F.R.3
Schütz, M.4
Celani, P.5
Knizia, G.6
Korona, T.7
Lindh, R.8
Mitrushenkov, A.9
Rauhut, G.10
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