-
1
-
-
84966361777
-
Die Ozonisierung des 9, 10-Oktalins
-
Criegee, R.; Wenner, G. Die Ozonisierung Des 9, 10-Oktalins Chem. Ber. 1949, 564, 9-15
-
(1949)
Chem. Ber.
, vol.564
, pp. 9-15
-
-
Criegee, R.1
Wenner, G.2
-
3
-
-
0001737216
-
The Ethene-Ozone Reaction in the Gas Phase
-
Neeb, P.; Horie, O.; Moorgat, G. K. The Ethene-Ozone Reaction in the Gas Phase Chem. Phys. Lett. 1998, 102, 6778-6785
-
(1998)
Chem. Phys. Lett.
, vol.102
, pp. 6778-6785
-
-
Neeb, P.1
Horie, O.2
Moorgat, G.K.3
-
4
-
-
79958045786
-
Total Radicals Yields from Tropospheric Ethene Ozonolysis
-
Alam, M. S.; Bloss, W. J. Total Radicals Yields from Tropospheric Ethene Ozonolysis Phys. Chem. Chem. Phys. 2011, 13, 11002-11015
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 11002-11015
-
-
Alam, M.S.1
Bloss, W.J.2
-
5
-
-
51749125050
-
2OO)
-
2OO) J. Am. Chem. Soc. 2008, 130, 11883-11885
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 11883-11885
-
-
Taatjes, C.A.1
Meloni, G.2
Selby, T.M.3
Trevitt, A.J.4
Osborn, D.L.5
Percival, C.J.6
Shallcross, D.E.7
-
6
-
-
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
-
10
-
-
84890398203
-
2C=O-O): Isotopic Spectroscopy, Equilibrium Structure, and Possible Formation from Atmospheric Lightning
-
2C=O-O): Isotopic Spectroscopy, Equilibrium Structure, and Possible Formation from Atmospheric Lightning J. Phys. Chem. Lett. 2013, 23, 4133-4139
-
(2013)
J. Phys. Chem. Lett.
, vol.23
, pp. 4133-4139
-
-
McCarthy, M.C.1
Cheng, L.2
Crabtree, K.N.3
Martinez, O.4
Nguyen, T.L.5
Womack, C.C.6
Stanton, J.F.7
-
11
-
-
0031767663
-
Satellite Measurements of Global Lightning
-
Christian, H.; Latham, J. Satellite Measurements of Global Lightning Quarterly J. R. Met. Soc. 1998, 124, 1771-1773
-
(1998)
Quarterly J. R. Met. Soc.
, vol.124
, pp. 1771-1773
-
-
Christian, H.1
Latham, J.2
-
12
-
-
0242376424
-
Global Frequency and Distribution of Lightning as Observed from Space by the Optical Transient Detector
-
4-1-ACL
-
Christian, H. J.; Blakeslee, R. J.; Boccippio, D. J.; Boeck, W. L.; Buechler, D. E.; Driscoll, K. T.; Goodman, S. J.; Hall, J. M.; Koshak, W. J.; Mach, D. M.; Stewart, M. F. Global Frequency and Distribution of Lightning as Observed from Space by the Optical Transient Detector J. Geophys. Res. 2003, 108, ACL 4-1-ACL 4-15 10.1029/2002JD002347
-
(2003)
J. Geophys. Res.
, vol.108
, pp. 4-15
-
-
Christian, H.J.1
Blakeslee, R.J.2
Boccippio, D.J.3
Boeck, W.L.4
Buechler, D.E.5
Driscoll, K.T.6
Goodman, S.J.7
Hall, J.M.8
Koshak, W.J.9
Mach, D.M.10
Stewart, M.F.11
-
13
-
-
11044227833
-
HEAT: High Accuracy Extrapolated Ab Initio Thermochemistry
-
Tajti, A.; Szalay, P. G.; Csaszar, A. G.; Kallay, M.; Gauss, J.; Valeev, E. F.; Flowers, B. A.; Vazquez, J.; Stanton, J. F. HEAT: High Accuracy Extrapolated Ab Initio Thermochemistry J. Chem. Phys. 2004, 121, 11599-11613
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 11599-11613
-
-
Tajti, A.1
Szalay, P.G.2
Csaszar, A.G.3
Kallay, M.4
Gauss, J.5
Valeev, E.F.6
Flowers, B.A.7
Vazquez, J.8
Stanton, J.F.9
-
14
-
-
33747293832
-
High-Accuracy Extrapolated Ab Initio Thermochemistry. II. Minor Improvements to the Protocol and a Vital Simplification
-
Bomble, Y. J.; Vazquez, J.; Kallay, M.; Michauk, C.; Szalay, P. G.; Csaszar, A. G.; Gauss, J.; Stanton, J. F. High-Accuracy Extrapolated Ab Initio Thermochemistry. II. Minor Improvements to the Protocol and a Vital Simplification J. Chem. Phys. 2006, 125, 064108-8
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 064108-064118
-
-
Bomble, Y.J.1
Vazquez, J.2
Kallay, M.3
Michauk, C.4
Szalay, P.G.5
Csaszar, A.G.6
Gauss, J.7
Stanton, J.F.8
-
15
-
-
41049111804
-
High-Accuracy Extrapolated Ab Initio Thermochemistry. III. Additional Improvements and Overview
-
Harding, M. E.; Vazquez, J.; Ruscic, B.; Wilson, A. K.; Gauss, J.; Stanton, J. F. High-Accuracy Extrapolated Ab Initio Thermochemistry. III. Additional Improvements and Overview J. Chem. Phys. 2008, 128, 114111-15
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 114111-114115
-
-
Harding, M.E.1
Vazquez, J.2
Ruscic, B.3
Wilson, A.K.4
Gauss, J.5
Stanton, J.F.6
-
16
-
-
33748497962
-
General Constraction of Gaussian-Basis Sets. 1. Atomic Natural Orbitals for 1st-Row and 2nd-Row Atoms
-
Almlof, J.; Taylor, P. R. General Constraction of Gaussian-Basis Sets. 1. Atomic Natural Orbitals for 1st-Row and 2nd-Row Atoms J. Chem. Phys. 1987, 86, 4070-4077
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 4070-4077
-
-
Almlof, J.1
Taylor, P.R.2
-
17
-
-
0001377168
-
General Constraction of Gaussian-Basis Sets. 2. Atomic Natural Orbitals and the Calculation of Atomic and Molecular-Properties
-
Almlof, J.; Taylor, P. R. General Constraction of Gaussian-Basis Sets. 2. Atomic Natural Orbitals and the Calculation of Atomic and Molecular-Properties J. Chem. Phys. 1990, 92, 551-560
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 551-560
-
-
Almlof, J.1
Taylor, P.R.2
-
18
-
-
84882453212
-
Calculation of Fundamental Frequencies for Small Polyatomic Molecules: A Comparison of Correlation-Consistent and Atomic Natural Orbital Basis Sets
-
McCaslin, L. M.; Stanton, J. F. Calculation of Fundamental Frequencies for Small Polyatomic Molecules: A Comparison of Correlation-Consistent and Atomic Natural Orbital Basis Sets Mol. Phys. 2013, 111, 1492-1496
-
(2013)
Mol. Phys.
, vol.111
, pp. 1492-1496
-
-
McCaslin, L.M.1
Stanton, J.F.2
-
19
-
-
0001136801
-
Vibration-Rotation Structure in Asymmetric- and Symmetric-Top Molecules
-
Rao, K. N. Mathews, C. W. Academic Press: New York
-
Mills, I. M. Vibration-Rotation Structure in Asymmetric- and Symmetric-Top Molecules. In Molecular Spectroscopy: Modern Research; Rao, K. N.; Mathews, C. W., Eds.; Academic Press: New York, 1972; Vol. 1, p 115.
-
(1972)
Molecular Spectroscopy: Modern Research
, vol.1
, pp. 115
-
-
Mills, I.M.1
-
20
-
-
33746614482
-
Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. the Atoms Boron through Neon and Hydrogen
-
Dunning, T. H., Jr. Gaussian Basis Sets for Use in Correlated Molecular Calculations. I. The Atoms Boron through Neon and Hydrogen J. Chem. Phys. 1989, 90, 1007-1023
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 1007-1023
-
-
Dunning, T.H.1
-
21
-
-
0347007668
-
Application of Systematic Sequences of Wave-Functions to the Water Dimer
-
Feller, D. Application of Systematic Sequences of Wave-Functions to the Water Dimer J. Chem. Phys. 1992, 96, 6104-6114
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6104-6114
-
-
Feller, D.1
-
22
-
-
0000724478
-
Basis-Set Convergence of Correlated Calculations on Water
-
Helgaker, T.; Klopper, W.; Koch, H.; Noga, J. Basis-Set Convergence of Correlated Calculations on Water J. Chem. Phys. 1997, 106, 9639-9646
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 9639-9646
-
-
Helgaker, T.1
Klopper, W.2
Koch, H.3
Noga, J.4
-
23
-
-
9144239375
-
Introduction to Active Thermochemical Tables: Several "key" Enthalpies of Formation Revisited
-
Ruscic, B.; Pinzon, R. E.; Morton, M. L.; von Laszevski, G.; Bittner, S. J.; Nijsure, S. G.; Amin, K. A.; Minkoff, M.; Wagner, A. F. Introduction to Active Thermochemical Tables: Several "Key" Enthalpies of Formation Revisited J. Phys. Chem. A 2004, 108, 9979-9997
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 9979-9997
-
-
Ruscic, B.1
Pinzon, R.E.2
Morton, M.L.3
Von Laszevski, G.4
Bittner, S.J.5
Nijsure, S.G.6
Amin, K.A.7
Minkoff, M.8
Wagner, A.F.9
-
24
-
-
24644499597
-
Active Thermochemical Tables: Thermochemistry for the 21st Century
-
Ruscic, B.; Pinzon, R. E.; von Laszevski, G.; Kodeboyina, D.; Burcat, A.; Leahy, D.; Montoya, D.; Wagner, A. F. Active Thermochemical Tables: Thermochemistry for the 21st Century J. Phys. Conf. Ser. 2005, 16, 561-570
-
(2005)
J. Phys. Conf. Ser.
, vol.16
, pp. 561-570
-
-
Ruscic, B.1
Pinzon, R.E.2
Von Laszevski, G.3
Kodeboyina, D.4
Burcat, A.5
Leahy, D.6
Montoya, D.7
Wagner, A.F.8
-
25
-
-
33745459479
-
2
-
2 J. Phys. Chem. A 2006, 110, 6592-6601
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6592-6601
-
-
Ruscic, B.1
Pinzon, R.E.2
Morton, M.L.3
Srinivasan, N.K.4
Su, M.-C.5
Sutherland, J.W.6
Michael, J.V.7
-
27
-
-
73949154649
-
-
Stanton, J. F.; Gauss, J.; Harding, M. E.; Szalay, P. G.; Auer, A. A.; Bartlett, R. J.; CFOUR, a Quantum Chemical Program Package, 2009, (available at http://www.cfour.de).
-
(2009)
CFOUR, A Quantum Chemical Program Package
-
-
Stanton, J.F.1
Gauss, J.2
Harding, M.E.3
Szalay, P.G.4
Auer, A.A.5
Bartlett, R.J.6
-
28
-
-
80052921845
-
-
MRCC, a Quantum Chemical Program Suite written by Kállay, M. Rolik, Z. Ladjánszki, I. Szegedy, L. Ladóczki, B. Csontos, J. Kornis, B. See also; as well as
-
MRCC, a Quantum Chemical Program Suite written by Kállay, M.; Rolik, Z.; Ladjánszki, I.; Szegedy, L.; Ladóczki, B.; Csontos, J.; Kornis, B. See also Kállay, M.; Rolik, Z. J. Chem. Phys. 2011, 135, 104111 as well as http://www.mrcc.hu
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 104111
-
-
Kállay, M.1
Rolik, Z.2
-
29
-
-
0035397222
-
2 reaction: Kinetics, mechanism and product branching probabilities
-
2 reaction: Kinetics, mechanism and product branching probabilities J. Chem. Phys. 2001, 115, 195-203
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 195-203
-
-
Zhu, R.1
Hsu, C.-C.2
Lin, M.C.3
-
30
-
-
0000804004
-
Property Evaluation and Orbital Relaxation in Coupled Cluster Methods
-
Salter, E. A.; Sekino, H.; Bartlett, R. J. Property Evaluation and Orbital Relaxation in Coupled Cluster Methods J. Chem. Phys. 1987, 87, 502-509
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 502-509
-
-
Salter, E.A.1
Sekino, H.2
Bartlett, R.J.3
-
31
-
-
0030580854
-
Formation of OH Radicals in the Gas Phase Ozonelysis of Alkenes: The Unexpected Roles of Carbonyl Oxides
-
Gutbrod, R.; Schindler, R. N.; Kraka, E.; Cremer, D. Formation of OH Radicals in the Gas Phase Ozonelysis of Alkenes: The Unexpected Roles of Carbonyl Oxides Chem. Phys. Lett. 1996, 252, 221-229
-
(1996)
Chem. Phys. Lett.
, vol.252
, pp. 221-229
-
-
Gutbrod, R.1
Schindler, R.N.2
Kraka, E.3
Cremer, D.4
-
32
-
-
0031553330
-
Energetics, Kinetics, and Product Distributions of the Reactions of Ozone with Ethene and 2,3-Dimethyl-2-butene
-
Olzmann, M.; Kraka, E.; Cremer, D.; Gutbrod, R.; Andersson, S. Energetics, Kinetics, and Product Distributions of the Reactions of Ozone with Ethene and 2,3-Dimethyl-2-butene J. Phys. Chem. A 1997, 101, 9421-9429
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 9421-9429
-
-
Olzmann, M.1
Kraka, E.2
Cremer, D.3
Gutbrod, R.4
Andersson, S.5
-
33
-
-
0031597127
-
Direct Observation of OH Production from the Ozonolysis of Olefins
-
Donahue, N. M.; Kroll, J. H.; Anderson, J. G.; Demerjian, K. L. Direct Observation of OH Production from the Ozonolysis of Olefins Geophys. Res. Lett. 1998, 25, 59-62
-
(1998)
Geophys. Res. Lett.
, vol.25
, pp. 59-62
-
-
Donahue, N.M.1
Kroll, J.H.2
Anderson, J.G.3
Demerjian, K.L.4
-
34
-
-
84937158526
-
-
NIST Computational Chemistry Comparison and Benchmark Database; NIST Standard Reference Database Number 101, Release 16a; Johnson, R. D., III, Ed., August 2012
-
NIST Computational Chemistry Comparison and Benchmark Database; NIST Standard Reference Database Number 101, Release 16a; Johnson, R. D., III, Ed., August 2012; http://cccbdb.nist.gov/.
-
-
-
-
35
-
-
7044230090
-
Semi-Classical Theory for Non-Separable Systems:. Construction of "good" Action-Angle Variables for Reaction Rate Constants
-
Miller, W. H. Semi-Classical Theory for Non-Separable Systems:. Construction of "Good" Action-Angle Variables for Reaction Rate Constants Faraday Disc. Chem. Soc. 1977, 62, 40-46
-
(1977)
Faraday Disc. Chem. Soc.
, vol.62
, pp. 40-46
-
-
Miller, W.H.1
-
36
-
-
0002520887
-
Ab Initio Calculation of Anharmonic Constants for a Transition-State, with Application to Semiclassical Transition-State Tunneling Probabilities
-
Miller, W. H.; Hernandez, R.; Handy, N. C.; Jayatilaka, D.; Willets, A. Ab Initio Calculation of Anharmonic Constants for a Transition-State, with Application to Semiclassical Transition-State Tunneling Probabilities Chem. Phys. Lett. 1990, 172, 62-68
-
(1990)
Chem. Phys. Lett.
, vol.172
, pp. 62-68
-
-
Miller, W.H.1
Hernandez, R.2
Handy, N.C.3
Jayatilaka, D.4
Willets, A.5
-
37
-
-
23444460317
-
Semi-Classical Transition State Theory. A New Perspective
-
Hernandez, R.; Miller, W. H. Semi-Classical Transition State Theory. A New Perspective Chem. Phys. Lett. 1993, 214, 129-136
-
(1993)
Chem. Phys. Lett.
, vol.214
, pp. 129-136
-
-
Hernandez, R.1
Miller, W.H.2
-
38
-
-
77957852158
-
A Practical Implementation of Semi-Classical Transition State Theory for Polyatomics
-
Nguyen, T. L.; Stanton, J. F.; Barker, J. R. A Practical Implementation of Semi-Classical Transition State Theory for Polyatomics Chem. Phys. Lett. 2010, 499, 9-15
-
(2010)
Chem. Phys. Lett.
, vol.499
, pp. 9-15
-
-
Nguyen, T.L.1
Stanton, J.F.2
Barker, J.R.3
-
40
-
-
0141935919
-
-
University of Michigan: Ann Arbor, MI
-
Barker, J. R.; Ortiz, N. F.; Preses, J. M.; Lohr, L. L.; Maranzana, A.; Stimac, P. J.; Nguyen, T. L.; Kumar, T. J. D. MultiWell Program Suite; University of Michigan: Ann Arbor, MI, 2011, (http://aoss.engin.umich.edu/multiwell/).
-
(2011)
MultiWell Program Suite
-
-
Barker, J.R.1
Ortiz, N.F.2
Preses, J.M.3
Lohr, L.L.4
Maranzana, A.5
Stimac, P.J.6
Nguyen, T.L.7
Kumar, T.J.D.8
-
41
-
-
77949439558
-
Sums and Densities of Fully Coupled Anharmonic Vibrational States: A Comparison of Three Practical Methods
-
Nguyen, T. L.; Barker, J. R. Sums and Densities of Fully Coupled Anharmonic Vibrational States: A Comparison of Three Practical Methods J. Phys. Chem. A 2010, 114, 3718-3730
-
(2010)
J. Phys. Chem. A
, vol.114
, pp. 3718-3730
-
-
Nguyen, T.L.1
Barker, J.R.2
-
42
-
-
81555201653
-
Computational Study of the Reaction Mechanism of the Methylperoxy Self-Reaction
-
Liang, Y. N.; Li, J.; Wang, Q. D.; Li, X. Y. Computational Study of the Reaction Mechanism of the Methylperoxy Self-Reaction J. Phys. Chem. A 2011, 115, 13534-13541
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 13534-13541
-
-
Liang, Y.N.1
Li, J.2
Wang, Q.D.3
Li, X.Y.4
-
45
-
-
84871827304
-
Laboratory Studies of organic Peroxy Radical Chemistry: An Overview with Emphasis on Recent Issues of Atmospheric Significance
-
Orlando, J. J.; Tyndall, G. S. Laboratory Studies of organic Peroxy Radical Chemistry: An Overview with Emphasis on Recent Issues of Atmospheric Significance Chem. Soc. Rev. 2012, 41, 6294-6317
-
(2012)
Chem. Soc. Rev.
, vol.41
, pp. 6294-6317
-
-
Orlando, J.J.1
Tyndall, G.S.2
-
46
-
-
0001168897
-
2 by IR Diode Laser Flash Kinetic Spectroscopy
-
2 by IR Diode Laser Flash Kinetic Spectroscopy J. Phys. Chem. 1994, 98, 174-183
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 174-183
-
-
Alvarez, R.A.1
Moore, C.B.2
-
49
-
-
0002621616
-
2 Studied by Time-Resolved FTIR Spectroscopy
-
2 Studied by Time-Resolved FTIR Spectroscopy Chem. Phys. Lett. 2000, 322, 21-26
-
(2000)
Chem. Phys. Lett.
, vol.322
, pp. 21-26
-
-
Su, H.1
Mao, W.2
Kong, F.3
|