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1

Integrating smoking cessation treatment into primary care: an effectiveness study

Michael C Fiore, Danielle E McCarthy, Thomas C Jackson, Mark E Zehner, Douglas E Jorenby, Michelle Mielke, Stevens S Smith, Teresa A Guiliani, Timothy B Baker

Journal:

Preventive Medicine

Year:

2004

Language:

english

File:

PDF, 366 KB

english, 2004

2

Zero-point energy, tunnelling, and vibrational adiabaticity in the Mu + H 2 reaction

Mielke, Steven L., Garrett, Bruce C., Fleming, Donald G., Truhlar, Donald G.

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 743 KB

english, 2015

3

A ‘path-by-path’ monotone extrapolation sequence for Feynman path integral calculations of quantum mechanical free energies

Steven L. Mielke, Donald G. Truhlar

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 171 KB

english, 2003

4

Characterization of protein secondary structure from NMR chemical shifts

Steven P. Mielke, V.V. Krishnan

Journal:

Progress in Nuclear Magnetic Resonance Spectroscopy

Year:

2009

Language:

english

File:

PDF, 2.27 MB

english, 2009

5

Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements

Peng, Bei, Locascio, Mark, Zapol, Peter, Li, Shuyou, Mielke, Steven L., Schatz, George C., Espinosa, Horacio D.

Journal:

Nature Nanotechnology

Year:

2008

Language:

english

File:

PDF, 620 KB

english, 2008

6

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

7

Accurate vibrational-rotational partition functions and standard-state free energy values for H[sub 2]O[sub 2] from Monte Carlo path-integral calculations

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

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 404 KB

english, 2004

8

A new Fourier path integral method, a more general scheme for extrapolation, and comparison of eight path integral methods for the quantum mechanical calculation of free energies

Mielke, Steven L., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 343 KB

english, 2001

9

Kinetics of the reaction of the heaviest hydrogen atom with H2, the 4Heμ + H2 → 4HeμH + H reaction: Experiments, accurate quantal calculations, and variational transition state theory, including kinetic isotope effects for a factor of 36.1 in isotopic mass

Fleming, Donald G., Arseneau, Donald J., Sukhorukov, Oleksandr, Brewer, Jess H., Mielke, Steven L., Truhlar, Donald G., Schatz, George C., Garrett, Bruce C., Peterson, Kirk A.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.44 MB

english, 2011

10

A whole-path importance-sampling scheme for Feynman path integral calculations of absolute partition functions and free energies

Mielke, Steven L., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 408 KB

english, 2016

11

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

12

Trajectory calculations and converged quantum cross sections for D + H2(υ = 1, j = 1, Erel = 1.02 eV) → HD(υ′ = 1, j′) + H on a new potential energy surface

William J. Keogh, Arnold I. Boothroyd, Peter G. Martin, Steven L. Mielke, Donald G. Truhlar, David W. Schwenke

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 439 KB

english, 1992

13

High-energy state-to-state quantum dynamics for D+H2 (v=j=1) → HD (v′=1, j′) + H

Steven L. Mielke, Ronald S. Friedman, Donald G. Truhlar, David W. Schwenke

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 565 KB

english, 1992

14

Converged quantum-mechanical calculations of electronic-to-vibrational, rotational energy transfer probabilities in a system with a conical intersection

David W. Schwenke, Steven L. Mielke, Gregory J. Tawa, Ronald S. Friedman, Philippe Halvick, Donald G. Truhlar

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 623 KB

english, 1993

15

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

16

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

17

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

18

Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes

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

Journal:

Computer Methods in Applied Mechanics and Engineering

Year:

2008

Language:

english

File:

PDF, 1.95 MB

english, 2008

19

The role of vacancy defects and holes in the fracture of carbon nanotubes

Steven L. Mielke, Diego Troya, Sulin Zhang, Je-Luen Li, Shaoping Xiao, Roberto Car, Rodney S. Ruoff, George C. Schatz, Ted Belytschko

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 316 KB

english, 2004

20

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

21

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

22

Pulse Width Stabilization for Ultrafast Laser Systems

Michael M. Mielke, David M. Gaudiosi, Mathew Hamamoto, Kyungbum Kim, Robert Cline, Steven P. Sapers

Journal:

Physics Procedia

Year:

2011

Language:

english

File:

PDF, 325 KB

english, 2011

23

Parallel Fourier Path-Integral Monte Carlo calculations of absolute free energies and chemical equilibria

Jay Srinivasan, Yuri L. Volobuev, Steven L. Mielke, Donald G. Truhlar

Journal:

Computer Physics Communications

Year:

2000

Language:

english

File:

PDF, 236 KB

english, 2000

24

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

25

Variational reactive scattering calculations: computational optimization strategies

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

Journal:

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

Year:

1991

Language:

english

File:

PDF, 1.82 MB

english, 1991

26

Carbon nanotube fracture – differences between quantum mechanical mechanisms and those of empirical potentials

Diego Troya, Steven L. Mielke, George C. Schatz

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 545 KB

english, 2003

27

Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximation

Zheng, Jingjing, Yu, Tao, Papajak, Ewa, Alecu, I. M., Mielke, Steven L., Truhlar, Donald G.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.68 MB

english, 2011

28

MSTor: A program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicity

Jingjing Zheng, Steven L. Mielke, Kenneth L. Clarkson, Donald G. Truhlar

Journal:

Computer Physics Communications

Year:

2012

Language:

english

File:

PDF, 196 KB

english, 2012

29

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

30

DNA Mechanics

Benham, Craig J., Mielke, Steven P.

Journal:

Annual Review of Biomedical Engineering

Year:

2005

Language:

english

File:

PDF, 354 KB

english, 2005

31

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

32

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

33

Efficient methods for including quantum effects in Monte Carlo calculations of large systems: Extension of the displaced points path integral method and other effective potential methods to calculate properties and distributions

Mielke, Steven L., Dinpajooh, Mohammadhasan, Siepmann, J. Ilja, Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 672 KB

english, 2013

34

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

35

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

36

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

37

Bond Angle Distributions of Carbon Dioxide in the Gas, Supercritical, and Solid Phases †

Anderson, Kelly E., Mielke, Steven L., Siepmann, J. Ilja, Truhlar, Donald G.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 881 KB

english, 2009

38

A Systematic Study of the Reactions of OH - with Chlorinated Methanes. 1. Benchmark Studies of the Gas-Phase Reactions

Borisov, Yurii A., Arcia, Edgar E., Mielke, Steven L., Garrett, Bruce C., Dunning, Thom H.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 143 KB

english, 2001

39

A hierarchical family of global analytic Born–Oppenheimer potential energy surfaces for the H+H[sub 2] reaction ranging in quality from double-zeta to the complete basis set limit

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

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 810 KB

english, 2002

40

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

41

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

42

[American Institute of Aeronautics and Astronautics 48th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference - Honolulu, Hawaii (23 April 2007 - 26 April 2007)] 48th AIAA/ASME/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference - Two quantum mechanical/molecular mechanical coupling schemes appropriate for fracture mechanics studies

Khare, Roopam, Mielke, Steven, Paci, Jeffrey, Zhang, Sulin, Schatz, George, Belytschko, Ted

Year:

2007

Language:

english

File:

PDF, 2.55 MB

english, 2007

43

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

44

Mechanics of defects in carbon nanotubes: Atomistic and multiscale simulations

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

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 1010 KB

english, 2005

45

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

46

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

47

Statistical thermodynamics of bond torsional modes: Tests of separable, almost-separable, and improved Pitzer–Gwinn approximations

Ellingson, Benjamin A., Lynch, Vanessa Audette, Mielke, Steven L., Truhlar, Donald G.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 356 KB

english, 2006

48

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

49

IRELAND

Mielke, Michelle M., Haughey, Norman, Bandaru, Veera Venkata Ratnam, Miller, Michael I., Mori, Susumu, Schech, Steven, Albert, Marilyn, Lyketsos, Constantine G.

Journal:

Year:

1933

Language:

english

File:

PDF, 183 KB

english, 1933

50

Plasma ceramides predict hippocampal atrophy and progression in memory impairment among amnestic Mild Cognitive Impairment participants

Mielke, Michelle M., Haughey, Norman, Bandaru, Veera Venkata Ratnam, Miller, Michael I., Mori, Susumu, Schech, Steven, Albert, Marilyn, Lyketsos, Constantine G.

Journal:

Alzheimer's & Dementia

Year:

2009

Language:

english

File:

PDF, 281 KB

english, 2009