Steven L. Mielke: search on Z-Library

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51

Quantum Mechanical Rate Coefficients for the Cl + H 2 Reaction

Mielke, Steven L., Allison, Thomas C., Truhlar, Donald G., Schwenke, David W.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 321 KB

english, 1996

52

Contributions of individual reactive biogenic volatile organic compounds to organic nitrates above a mixed forest

Pratt, K. A., Mielke, L. H., Shepson, P. B., Bryan, A. M., Steiner, A. L., Ortega, J., Daly, R., Helmig, D., Vogel, C. S., Griffith, S., Dusanter, S., Stevens, P. S., Alaghmand, M.

Journal:

Atmospheric Chemistry and Physics

Year:

2012

Language:

english

File:

PDF, 8.73 MB

english, 2012

53

Benchmark calculations of the complete configuration-interaction limit of Born–Oppenheimer diagonal corrections to the saddle points of isotopomers of the H+H[sub 2] reaction

Mielke, Steven L., Schwenke, David W., Peterson, Kirk A.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 386 KB

english, 2005

54

Vibrational Configuration Interaction Using a Tiered Multimode Scheme and Tests of Approximate Treatments of Vibrational Angular Momentum Coupling: A Case Study for Methane

Mielke, Steven L., Chakraborty, Arindam, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.07 MB

english, 2013

55

The Transformation of Mexican Agriculture: International Structure and the Politics of Rural Change

Mielke, Myles J., Sanderson, Steven E.

Journal:

American Journal of Agricultural Economics

Year:

1986

Language:

english

File:

PDF, 338 KB

english, 1986

56

Visualization of the Detailed Structure of Plasmid DNA

Tanaka, Hiroyuki, Mielke, Steven P., Benham, Craig J., Kawai, Tomoji

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 1008 KB

english, 2008

57

A more accurate potential energy surface and quantum mechanical cross section calculations for the F+ H2 reaction

Steven L. Mielke, Gillian C. Lynch, Donald G. Truhlar, David W. Schwenke

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 592 KB

english, 1993

58

Brownian dynamics of double-stranded DNA in periodic systems with discrete salt

Mielke, Steven P., Grønbech-Jensen, Niels, Benham, Craig J.

Journal:

Physical Review E

Year:

2008

Language:

english

File:

PDF, 562 KB

english, 2008

59

Comparison of Theoretical and Experimental Differential Cross Sections for the H + D2 Reaction

Mielke, Steven L., Truhlar, Donald G., Schwenke, David W.

Journal:

Journal of Physical Chemistry

Year:

1994

Language:

english

File:

PDF, 563 KB

english, 1994

60

Panel discussion: Session 3

C. H. Mielke Jr., Steven Meltzer, Bruce Evatt, Ann C. Collier, William E. Lafferty, Mimi Fields

Journal:

Journal of Clinical Apheresis

Year:

1993

Language:

english

File:

PDF, 650 KB

english, 1993

61

Quantum photochemistry. Accurate quantum scattering calculations for an electronically nonadiabatic reaction

Steven L. Mielke, Gregory J. Tawa, Donald G. Truhlar, David W. Schwenke

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 456 KB

english, 1995

62

Photosystem trap energies and spectrally-dependent energy-storage efficiencies in the Chl d-utilizing cyanobacterium, Acaryochloris marina

Mielke, Steven P., Kiang, Nancy Y., Blankenship, Robert E., Mauzerall, David

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2013

Language:

english

File:

PDF, 464 KB

english, 2013

63

State-Selected Reaction of Muonium with Vibrationally Excited H 2

Bakule, Pavel, Fleming, Donald G., Sukhorukov, Oleksandr, Ishida, Katsuhiko, Pratt, Francis, Momose, Takamasa, Torikai, Eiko, Mielke, Steven L., Garrett, Bruce C., Peterson, Kirk A., Schatz, George C.

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.56 MB

english, 2012

64

The utility of many-body decompositions for the accurate basis set extrapolation of ab initio data

Mielke, Steven L., Garrett, Bruce C., Peterson, Kirk A.

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 296 KB

english, 1999

65

A separable rotation approximation for the calculation of chemical reaction rates

Steven L. Mielke, Gillian C. Lynch, Donald G. Truhlar, David W. Schwenke

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 423 KB

english, 1993

66

An algorithm to generate discrete probability distributions: Binomial, hypergeometric, negative binomial, inverse hypergeometric, and Poisson

Kenneth J. Berry, Paul W. Mielke, Steven G. Helmericks

Journal:

Behavior Research Methods

Year:

1994

Language:

english

File:

PDF, 401 KB

english, 1994

67

Plasma ceramides are altered in mild cognitive impairment and predict cognitive decline and hippocampal volume loss

Michelle M. Mielke, Norman J. Haughey, Veera Venkata Ratnam Bandaru, Steven Schech, Richard Carrick, Michelle C. Carlson, Susumu Mori, Michael I. Miller, Can Ceritoglu, Timothy Brown, Marilyn Albert,

Journal:

Alzheimer's & Dementia

Year:

2010

Language:

english

File:

PDF, 325 KB

english, 2010

68

P1-360: Plasma ceramides are altered early in the course of Alzheimer's disease

Michelle M. Mielke, Veera V.R. Bandaru, Norman J. Haughey, Steven Schech, Michael Chu, Marilyn Albert, Karen Bandeen-Roche, Constantine G. Lyketsos

Journal:

Alzheimer's & Dementia

Year:

2008

Language:

english

File:

PDF, 49 KB

english, 2008

69

Effect of Water Vapor on Electrical Properties of Individual Reduced Graphene Oxide Sheets

Jung, Inhwa, Dikin, Dmitriy, Park, Sungjin, Cai, Weiwei, Mielke, Steven L., Ruoff, Rodney S.

Journal:

The Journal of Physical Chemistry C

Year:

2008

Language:

english

File:

PDF, 721 KB

english, 2008

70

Funnel states as mediators of Born-Oppenheimer breakdown in reactions at an avoided crossing

Allison, Thomas C., Mielke, Steven L., Schwenke, David W., Truhlar, Donald G.

Journal:

Journal of the Chemical Society Faraday Transactions

Year:

1997

Language:

english

File:

PDF, 442 KB

english, 1997

71

Improved Methods for Feynman Path Integral Calculations of Vibrational−Rotational Free Energies and Application to Isotopic Fractionation of Hydrated Chloride Ions †

Mielke, Steven L., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 124 KB

english, 2009

72

Displaced-points path integral method for including quantum effects in the Monte Carlo evaluation of free energies

Mielke, Steven L., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 359 KB

english, 2001

73

Nanoscale Fracture Mechanics

Mielke, Steven L., Belytschko, Ted, Schatz, George C.

Journal:

Annual Review of Physical Chemistry

Year:

2007

Language:

english

File:

PDF, 255 KB

english, 2007

74

Transition states and minimum energy pathways for the collapse of carbon nanotubes

Zhang, Sulin, Khare, Roopam, Belytschko, Ted, Hsia, K. Jimmy, Mielke, Steven L., Schatz, George C.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 451 KB

english, 2006

75

High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials: Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations

Lynch, Vanessa Audette, Mielke, Steven L., Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 72 KB

english, 2005

76

Brownian dynamics simulations of sequence-dependent duplex denaturation in dynamically superhelical DNA

Mielke, Steven P., Gro̸nbech-Jensen, Niels, Krishnan, V. V., Fink, William H., Benham, Craig J.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 780 KB

english, 2005

77

Partial widths of feshbach funnel resonances in the Na(3p) · H2 exciplex

Steven L. Mielke, Gregory J. Tawa, Donald G. Truhlar, David W. Schwenke

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 487 KB

english, 1993

78

Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheets

Khare, Roopam, Mielke, Steven L., Paci, Jeffrey T., Zhang, Sulin, Ballarini, Roberto, Schatz, George C., Belytschko, Ted

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 1.47 MB

english, 2007

79

Accelerating the Convergence and Reducing the Variance of Path Integral Calculations of Quantum Mechanical Free Energies by Using Local Reference Potentials

Mielke, Steven L., Truhlar, Donald G.

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.35 MB

english, 2012

80

Improved methods for Feynman path integral calculations and their application to calculate converged vibrational–rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane

Mielke, Steven L., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.08 MB

english, 2015

81

The effects of extensive pitting on the mechanical properties of carbon nanotubes

Steven L. Mielke, Sulin Zhang, Roopam Khare, Rodney S. Ruoff, Ted Belytschko, George C. Schatz

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 460 KB

english, 2007

82

A simple energy-scaling scheme for fine-tuning empirical potentials for coupled quantum mechanical/molecular mechanical studies

Roopam Khare, Steven L. Mielke, Jeffrey T. Paci, George C. Schatz, Ted Belytschko

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 624 KB

english, 2008

83

Thermal Rate Constants for the O( 3 P) + HBr and O( 3 P) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations

de Oliveira-Filho, Antonio G. S., Ornellas, Fernando R., Peterson, Kirk A., Mielke, Steven L.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 544 KB

english, 2013

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