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51

Breast MRI in the Evaluation of Patients with Occult Primary Breast Carcinoma

Paul C. Stomper, Brad E. Waddell, Stephen B. Edge, Donald L. Klippenstein

Journal:

The Breast Journal

Year:

1999

Language:

english

File:

PDF, 720 KB

english, 1999

52

A complete statistical analysis of the reaction between OH and CO

Juan P. Senosiain, Stephen J. Klippenstein, James A. Miller

Journal:

Proceedings of the Combustion Institute

Year:

2005

Language:

english

File:

PDF, 371 KB

english, 2005

53

Reactions of oxygen atoms with hydrocarbon radicals: a priori kinetic predictions for the CH3 + O, C2H5 + O, and C2H3 + O reactions

Lawrence B. Harding, Stephen J. Klippenstein, Yuri Georgievskii

Journal:

Proceedings of the Combustion Institute

Year:

2005

Language:

english

File:

PDF, 324 KB

english, 2005

54

Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition

C. Franklin Goldsmith, Stephen J. Klippenstein, William H. Green

Journal:

Proceedings of the Combustion Institute

Year:

2011

Language:

english

File:

PDF, 295 KB

english, 2011

55

A theoretical analysis of the reaction between ethyl and molecular oxygen

James A. Miller, Stephen J. Klippenstein, Struan H. Robertson

Journal:

Proceedings of the Combustion Institute

Year:

2000

Language:

english

File:

PDF, 219 KB

english, 2000

56

Near-threshold H/D exchange in CD3CHO photodissociation

Heazlewood, Brianna R., Maccarone, Alan T., Andrews, Duncan U., Osborn, David L., Harding, Lawrence B., Klippenstein, Stephen J., Jordan, Meredith J. T., Kable, Scott H.

Journal:

Nature Chemistry

Year:

2011

Language:

english

File:

PDF, 881 KB

english, 2011

57

Long-range transition state theory

Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 449 KB

english, 2005

58

Separability of Tight and Roaming Pathways to Molecular Decomposition

Harding, Lawrence B., Klippenstein, Stephen J., Jasper, Ahren W.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.79 MB

english, 2012

59

Ab initio methods for reactive potential surfaces

Harding, Lawrence B., Klippenstein, Stephen J., Jasper, Ahren W.

Journal:

Physical Chemistry Chemical Physics

Year:

2007

Language:

english

File:

PDF, 2.44 MB

english, 2007

60

Long-Range Interaction Potential of Open Shell Atoms with Neutral Molecules : Application to the Calculation of the Rate Constant for the C2H(2Σ+)+O(3P) Reaction

Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

Proceedings of the International Astronomical Union

Year:

2011

Language:

english

File:

PDF, 332 KB

english, 2011

61

Experimental and Theoretical Investigation of the Self-Reaction of Phenyl Radicals

Tranter, Robert S., Klippenstein, Stephen J., Harding, Lawrence B., Giri, Binod R., Yang, Xueliang, Kiefer, John H.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.85 MB

english, 2010

62

Exploring the Role of PAHs in the Formation of Soot: Pyrene Dimerization

Sabbah, Hassan, Biennier, Ludovic, Klippenstein, Stephen J., Sims, Ian R., Rowe, Bertrand R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 905 KB

english, 2010

63

[Comprehensive Chemical Kinetics] Unimolecular Kinetics Part 1. The Reaction Step Volume 39 || Chapter 2 RRKM theory and its implementation

Klippenstein, Stephen J.

Year:

2003

Language:

english

File:

PDF, 2.51 MB

english, 2003

64

The Effect of Spin−Orbit Splitting on the Association Kinetics of Barrierless Halogen Atom−Hydrocarbon Radical Reactions

Jasper, Ahren W., Klippenstein, Stephen J., Harding, Lawrence B.

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 1.61 MB

english, 2010

65

Solution of Some One- and Two-Dimensional Master Equation Models for Thermal Dissociation: The Dissociation of Methane in the Low-Pressure Limit

Miller, James A., Klippenstein, Stephen J., Raffy, Christophe

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 140 KB

english, 2002

66

Master Equation Methods in Gas Phase Chemical Kinetics

Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 431 KB

english, 2006

67

Reactions over Multiple, Interconnected Potential Wells: Unimolecular and Bimolecular Reactions on a C 3 H 5 Potential †

Miller, James A., Senosiain, Juan P., Klippenstein, Stephen J., Georgievskii, Yuri

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 2.06 MB

english, 2008

68

Detailed balance in multiple-well chemical reactions

Miller, James A., Klippenstein, Stephen J., Robertson, Struan H., Pilling, Michael J., Green, Nicholas J. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 654 KB

english, 2009

69

Some Observations Concerning Detailed Balance in Association/Dissociation Reactions

Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 125 KB

english, 2004

70

Kinetics of CH + N 2 Revisited with Multireference Methods

Harding, Lawrence B., Klippenstein, Stephen J., Miller, James A.

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 416 KB

english, 2008

71

Comparisons between statistics, dynamics, and experiment for the H+O2→OH+O reaction

Yang, Chao-Yie, Klippenstein, Stephen J.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 563 KB

english, 1995

72

Variational statistical study of the CN+O2 reaction employing ab initio determined properties for the transition state

Klippenstein, Stephen J., Kim, Young-Woong

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.17 MB

english, 1993

73

Reaction Kinetics of CO + HO 2 → Products: Ab Initio Transition State Theory Study with Master Equation Modeling †

You, Xiaoqing, Wang, Hai, Goos, Elke, Sung, Chih-Jen, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 379 KB

english, 2007

74

A bond length reaction coordinate for unimolecular reactions. II. Microcanonical and canonical implementations with application to the dissociation of NCNO

Klippenstein, Stephen J.

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1.39 MB

english, 1991

75

Variational optimizations in the Rice–Ramsperger–Kassel–Marcus theory calculations for unimolecular dissociations with no reverse barrier

Klippenstein, Stephen J.

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 691 KB

english, 1992

76

A Two Transition State Model for Radical−Molecule Reactions: Applications to Isomeric Branching in the OH−Isoprene Reaction

Greenwald, Erin E., North, Simon W., Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 884 KB

english, 2007

77

Identification and Chemistry of C 4 H 3 and C 4 H 5 Isomers in Fuel-Rich Flames

Hansen, Nils, Klippenstein, Stephen J., Taatjes, Craig A., Miller, James A., Wang, Juan, Cool, Terrill A., Yang, Bin, Yang, Rui, Wei, Lixia, Huang, Chaoqun, Wang, Jing, Qi, Fei, Law, Matthew E., Westm

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 258 KB

english, 2006

78

[American Institute of Aeronautics and Astronautics 49th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Orlando, Florida ()] 49th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Kinetic Modeling of the H2/O2 Reaction in High-Pressure Flames

Burke, Michael, Ju, Yiguang, Dryer, Frederick, Chaos, Marcos, Klippenstein, Stephen

Year:

2011

Language:

english

File:

PDF, 148 KB

english, 2011

79

Kinetic Isotope Effects and Variable Reaction Coordinates in Barrierless Recombination Reactions

Taatjes, Craig A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 138 KB

english, 2001

80

Variational calculation of the rate of dissociation of ethenone into methylene and carbon monoxide on an ab initio determined potential energy surface

Yu, Jenwei, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1017 KB

english, 1991

81

A Theoretical Analysis of the Reaction between Vinyl and Acetylene: Quantum Chemistry and Solution of the Master Equation

Miller, James A., Klippenstein, Stephen J., Robertson, Struan H.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 195 KB

english, 2000

82

The Recombination of Propargyl Radicals: Solving the Master Equation

Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 199 KB

english, 2001

83

The Reaction of Acetylene with Hydroxyl Radicals

Senosiain, Juan P., Klippenstein, Stephen J., Miller, James A.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 263 KB

english, 2005

84

Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of CH2CO into CH2 and CO. II. Photofragment excitation spectra for vibrationally-excited fragments

Klippenstein, Stephen J., Marcus, R. A.

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 787 KB

english, 1990

85

Unconventional Peroxy Chemistry in Alcohol Oxidation: The Water Elimination Pathway

Welz, Oliver, Klippenstein, Stephen J., Harding, Lawrence B., Taatjes, Craig A., Zádor, Judit

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

86

Predictive theory for the combination kinetics of two alkyl radicals

Klippenstein, Stephen J., Georgievskii, Yuri, Harding, Lawrence B.

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 1.26 MB

english, 2006

87

Collision Efficiency of Water in the Unimolecular Reaction CH 4 (+H 2 O) ⇆ CH 3 + H (+H 2 O): One-Dimensional and Two-Dimensional Solutions of the Low-Pressure-Limit Master Equation

Jasper, Ahren W., Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.13 MB

english, 2013

88

Comparison of multireference configuration interaction potential energy surfaces for H

Harding, Lawrence B., Klippenstein, Stephen J., Lischka, Hans, Shepard, Ron

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2014

Language:

english

File:

PDF, 658 KB

english, 2014

89

Infrared frequency-modulation probing of product formation in alkyl + O2 reactions. Part IV.For Part III see ref. 12. Reactions of propyl and butyl radicals with O2Electronic Supplementary Information available. See http://www.rsc.org/suppdata/fd/b1/b102237g/

DeSain, John D., Taatjes, Craig A., Miller, James A., Klippenstein, Stephen J., Hahn, David K.

Journal:

Faraday Discussions

Year:

2001

Language:

english

File:

PDF, 216 KB

english, 2001

90

Vibrational Spectroscopy and Density Functional Theory of Transition-Metal Ion−Benzene and Dibenzene Complexes in the Gas Phase

Jaeger, Todd D., van Heijnsbergen, Deniz, Klippenstein, Stephen J., von Helden, Gert, Meijer, Gerard, Duncan, Michael A.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 190 KB

english, 2004

91

Application of unimolecular reaction rate theory for highly flexible transition states to the dissociation of CH2CO into CH2 and CO

Klippenstein, Stephen J., Marcus, R. A.

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1.20 MB

english, 1989

92

Uncertainty propagation in the derivation of phenomenological rate coefficients from theory: A case study of n-propyl radical oxidation

Goldsmith, C. Franklin, Tomlin, Alison S., Klippenstein, Stephen J.

Journal:

Proceedings of the Combustion Institute

Year:

2013

Language:

english

File:

PDF, 467 KB

english, 2013

93

Theoretical kinetics for the decomposition of iso-butanol and related reactions

Zhou, Chong-Wen, Klippenstein, Stephen J., Simmie, John M., Curran, Henry J.

Journal:

Proceedings of the Combustion Institute

Year:

2013

Language:

english

File:

PDF, 450 KB

english, 2013

94

Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions

Georgievskii, Yuri, Miller, James A., Burke, Michael P., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 574 KB

english, 2013

95

Combustion Chemistry: Important Features of the C 3 H 5 Potential Energy Surface, Including Allyl Radical, Propargyl + H 2 , Allene + H, and Eight Transition States

Narendrapurapu, Beulah S., Simmonett, Andrew C., Schaefer, Henry F., Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.36 MB

english, 2011

96

An experimental and theoretical high temperature kinetic study of the thermal unimolecular dissociation of fluoroethane

Giri, Binod R., Kiefer, John. H., Xu, Hui, Klippenstein, Stephen J., Tranter, Robert S.

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 648 KB

english, 2008

97

Variable reaction coordinate transition state theory: Analytic results and application to the C[sub 2]H[sub 3]+H→C[sub 2]H[sub 4] reaction

Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 395 KB

english, 2003

98

An Efficient Procedure for Evaluating the Number of Available States within a Variably Defined Reaction Coordinate Framework

Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 735 KB

english, 1994

99

Channel Specific Rate Constants Relevant to the Thermal Decomposition of Disilane

Matsumoto, Keiji, Klippenstein, Stephen J., Tonokura, Kenichi, Koshi, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 207 KB

english, 2005

100

The Recombination of Propargyl Radicals and Other Reactions on a C 6 H 6 Potential

Miller, James A., Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 542 KB

english, 2003