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1

Proton Affinities and Gas-Phase Basicities: Theoretical Methods and Structural Effects

Carol A. Deakyne

Journal:

Année:

2003

Fichier:

PDF, 48 KB

2003

2

Proton affinities and gas-phase basicities: theoretical methods and structural effects

Carol A. Deakyne

Journal:

International Journal of Mass Spectrometry

Année:

2003

Langue:

english

Fichier:

PDF, 172 KB

english, 2003

3

Paradigms and paradoxes: analysis of the site of protonation of bifunctional organic compounds with the protonation energy/volume computation method

Carol A. Deakyne, Joel F. Liebman, Evgeny A. Vlasov, Yuri E. Zevatsky

Journal:

Structural Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 172 KB

english, 2008

4

Paradigms and paradoxes: why is the electron affinity of the azide radical, N3, so large?

Thomas M. Klapötke, Carol A. Deakyne, Joel F. Liebman

Journal:

Structural Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 169 KB

english, 2011

5

The write position. A survey of perceived contributions to papers based on byline position and number of authors

Wren, Jonathan D., Kozak, Katarzyna Z., Johnson, Kathryn R., Deakyne, Sara J., Schilling, Lisa M., Dellavalle, Robert P.

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 249 KB

english, 2007

6

A Comparison of Diabetic and Pre-Diabetic Diagnoses and Diet and Exercise Behaviors in Adolescents: Results from the NHANES 2005-2006

M.G. Roseman, A.C. Deakyne

Journal:

Journal of the American Dietetic Association

Année:

2008

Langue:

english

Fichier:

PDF, 35 KB

english, 2008

7

Experimental and Computational Studies of Trialkylaluminum and Alkylaluminum Chloride Reactions with Silica

Blitz, Jonathan P., Diebel, Richard E., Deakyne, Carol A., Christensen, Jeannine M., Gun'ko, Vladimir M.

Journal:

Journal of Physical Chemistry B

Année:

2005

Langue:

english

Fichier:

PDF, 360 KB

english, 2005

8

Proton affinity and gas-phase basicity of hydroxyquinol: A computational study

Mayhan, Collin M., Kumari, Harshita, McClure, Elizabeth M., Liebman, Joel F., Deakyne, Carol A.

Journal:

The Journal of Chemical Thermodynamics

Année:

2014

Langue:

english

Fichier:

PDF, 579 KB

english, 2014

9

Neutral reactions in the presence of alkali ions

Viggiano, A. A., Deakyne, Carol A., Dale, F., Paulson, John F.

Journal:

The Journal of Chemical Physics

Année:

1987

Langue:

english

Fichier:

PDF, 934 KB

english, 1987

10

Fascia Iliaca Compartment Nerve Block Versus Systemic Pain Control for Acute Femur Fractures in the Pediatric Emergency Department

Neubrand, Tara L., Roswell, Kelley, Deakyne, Sara, Kocher, Kendra, Wathen, Joseph

Journal:

Pediatric Emergency Care

Année:

2014

Langue:

english

Fichier:

PDF, 286 KB

english, 2014

11

Unintentional Pediatric Exposures to Marijuana in Colorado, 2009-2015

Wang, George Sam, Le Lait, Marie-Claire, Deakyne, Sara J., Bronstein, Alvin C., Bajaj, Lalit, Roosevelt, Genie

Journal:

JAMA Pediatrics

Année:

2016

Langue:

english

Fichier:

PDF, 245 KB

english, 2016

12

Structure and functional basis for an EBNA1 hexameric ring in Epstein-Barr Virus episome maintenance

Deakyne, Julianna S., Malecka, Kimberly, Messick, Troy E., Lieberman, Paul M.

Journal:

Journal of Virology

Année:

2017

Langue:

english

Fichier:

PDF, 5.00 MB

english, 2017

13

Identification of Long Bone Fractures in Radiology Reports Using Natural Language Processing to support Healthcare Quality Improvement

Grundmeier, Robert, Masino, Aaron, Casper, T., Dean, Jonathan, Bell, Jamie, Enriquez, Rene, Deakyne, Sara, Chamberlain, James, Alpern, Elizabeth

Journal:

Applied Clinical Informatics

Année:

2016

Fichier:

PDF, 697 KB

2016

14

Controlling the Self-Assembly of Metal-Seamed Organic Nanocapsules

Dr. Harshita Kumari, Andrew V. Mossine, Dr. Steven R. Kline, Dr. Cindi L. Dennis, Dr. Drew A. Fowler, Dr. Simon J. Teat, Dr. Charles L. Barnes, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie International Edition

Année:

2012

Langue:

english

Fichier:

PDF, 766 KB

english, 2012

15

Noble Gas Compounds and Chemistry: A Brief Review of Interrelations and Interactions with Fluorine-Containing Species

Joel F. Liebman, Carol A. Deakyne

Journal:

Année:

2003

Fichier:

PDF, 57 KB

2003

16

ChemInform Abstract: Paradigms and Paradoxes: Why Is the Electron Affinity of the Azide Radical, N3, so Large?

Thomas M. Klapoetke, Carol A. Deakyne, Joel F. Liebman

Journal:

Année:

2011

Fichier:

PDF, 18 KB

2011

17

Regularities in the bond dissociation enthalpies of molecules of type AB and BAB: energetics of compounds of groups 14 and 16

Carol A Deakyne, Le Li, Wencui Zheng, Danyu Xu, Joel F Liebman

Journal:

The Journal of Chemical Thermodynamics

Année:

2002

Langue:

english

Fichier:

PDF, 62 KB

english, 2002

18

Coupling of charge stabilization, torsion and bond alternation in light-induced reactions of visual pigments

A. Warshel, C. Deakyne

Journal:

Chemical Physics Letters

Année:

1978

Langue:

english

Fichier:

PDF, 828 KB

english, 1978

19

Thermochemical considerations and bond enthalpy ratios involving triatomic 16-valence electron neutrals and ions and some isoelectronically related pentaatomics

Carol A. Deakyne, Lisa K. Norton, Ashley M. Abele, Alicia K. Ludden, Joel F. Liebman

Journal:

International Journal of Mass Spectrometry

Année:

2007

Langue:

english

Fichier:

PDF, 425 KB

english, 2007

20

In-process measurement of form error and force in cylindrical-plunge grinding

Eric R. Marsh, Alex W. Moerlein, Theodore R.S. Deakyne, Matthew J. Van Doren

Journal:

Precision Engineering

Année:

2008

Langue:

english

Fichier:

PDF, 762 KB

english, 2008

21

Detection of orientation-dependent, single-crystal diamond tool edge wear using cutting force sensors, while spin-turning silicon

Eric R. Marsh, Edward J. Sommer, Theodore R.S. Deakyne, George A. Kim, James A. Simonson

Journal:

Precision Engineering

Année:

2010

Langue:

english

Fichier:

PDF, 679 KB

english, 2010

22

Noble gas compounds and chemistry: a brief review of interrelations and interactions with fluorine-containing species

Joel F. Liebman, Carol A. Deakyne

Journal:

Journal of Fluorine Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 150 KB

english, 2003

23

Experimental and theoretical study of the energetics of trialkylsulfonium ions

C.A. Deakyne, D.M. Knuth, M. Meot-Ner, C.M. Breneman, J.F. Liebman

Journal:

Journal of Molecular Structure

Année:

1999

Langue:

english

Fichier:

PDF, 121 KB

english, 1999

24

The structure and energetics of [B, C, F, H3]+: quantum chemistry shows multiple minima

Carol A Deakyne, Le Li, Joel F Liebman

Journal:

International Journal of Mass Spectrometry

Année:

2003

Langue:

english

Fichier:

PDF, 119 KB

english, 2003

25

The temperature dependence of absolute gas phase acidities

John E. Bartmess, Jason L. Pittman, Jeremiah A. Aeschleman, Carol A. Deakyne

Journal:

International Journal of Mass Spectrometry

Année:

2000

Langue:

english

Fichier:

PDF, 98 KB

english, 2000

26

Regularities in the bond dissociation enthalpies of molecules of types AB and BAB: Energetics of 10- and 16-valence electron ions of groups 13, 15, and 16

Carol A. Deakyne, Le Li, Wencui Zheng, Danyu Xu, Joel F. Liebman

Journal:

International Journal of Quantum Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 91 KB

english, 2003

27

In-process force measurement for diameter control in precision cylindrical grinding

Alex W. Moerlein, Eric R. Marsh, Theodore R. S. Deakyne, R. Ryan Vallance

Journal:

The International Journal of Advanced Manufacturing Technology

Année:

2009

Langue:

english

Fichier:

PDF, 573 KB

english, 2009

28

The H2O2-NO2− and H2NO4− isomers of the nitrate anion-water complex

Mingzuo Shen, Yaoming Xie, Henry F. Schaefer III, Carol A. Deakyne

Journal:

Chemical Physics

Année:

1991

Langue:

english

Fichier:

PDF, 901 KB

english, 1991

29

The structure and energetics of singlet, closed-shell [B, C, F, H2]: Simplicity resulting in diversity

Carol A. Deakyne, Aaron K. Corum, Haunani M. Thomas, Joel F. Liebman

Journal:

Journal of Fluorine Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 463 KB

english, 2006

30

The structure and energetics of triplet [B, C, F, H2]

Carol A. Deakyne, Haunani M. Thomas, Joel F. Liebman

Journal:

Journal of Fluorine Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 353 KB

english, 2009

31

Fanconi anemia: at the Crossroads of DNA repair

J. S. Deakyne, A. V. Mazin

Journal:

Biochemistry (Moscow)

Année:

2011

Langue:

english

Fichier:

PDF, 299 KB

english, 2011

32

Controlling the Self-Assembly of Metal-Seamed Organic Nanocapsules

Dr. Harshita Kumari, Andrew V. Mossine, Dr. Steven R. Kline, Dr. Cindi L. Dennis, Dr. Drew A. Fowler, Dr. Simon J. Teat, Dr. Charles L. Barnes, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie

Année:

2012

Langue:

english

Fichier:

PDF, 775 KB

english, 2012

33

Solution-Phase Structures of Gallium-Containing Pyrogallol[4]arene Scaffolds

Dr. Harshita Kumari, Dr. Steven R. Kline, Dr. Wei G. Wycoff, Dr. Rick L. Paul, Andrew V. Mossine, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie

Année:

2012

Langue:

english

Fichier:

PDF, 994 KB

english, 2012

34

Solution-Phase Structures of Gallium-Containing Pyrogallol[4]arene Scaffolds

Dr. Harshita Kumari, Dr. Steven R. Kline, Dr. Wei G. Wycoff, Dr. Rick L. Paul, Andrew V. Mossine, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie International Edition

Année:

2012

Langue:

english

Fichier:

PDF, 1005 KB

english, 2012

35

Comparison of Throughput Times for Limited English Proficiency Patient Visits in the Emergency Department Between Different Interpreter Modalities

Amy Grover, Sara Deakyne, Lalit Bajaj, Genie E. Roosevelt

Journal:

Journal of Immigrant and Minority Health

Année:

2012

Langue:

english

Fichier:

PDF, 168 KB

english, 2012

36

The relative Lewis acidities of BF3 and SO3: the enthalpies of complexation with the anionic bases F−, OH−, NH2−, CH3− and CF3−

Carol A. Deakyne, Joel F. Liebman

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1991

Langue:

english

Fichier:

PDF, 788 KB

english, 1991

37

A comparative study of isoelectronic and isogyric reactions.: Part 2. Molecular orbital calculations of diatomic sulfides, oxides and halides

Carol A. Deakyne, Kristin K. Brown, Carrie S. Pacini, David C. Pohlman, Danielle N. Gray, Joel F. Liebman

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1992

Langue:

english

Fichier:

PDF, 1.44 MB

english, 1992

38

Filling of solvent shells about ions: Part 3. Isomeric clusters of (HCN)n(NH3)mH+

Carol A. Deakyne, Dawn M. Knuth, Carlos V. Speller, Michael Meot-Ner (Mautner), L.Wayne Sieck

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1994

Langue:

english

Fichier:

PDF, 1.82 MB

english, 1994

39

The Associations of Diet and Exercise Behaviors in Diabetes and Non-Diabetes Diagnosed Adolescents: Results from the Nhanes 2003-2004 & 2005-2006

A.C. Deakyne, M.G. Roseman

Journal:

Journal of the American Dietetic Association

Année:

2009

Langue:

english

Fichier:

PDF, 72 KB

english, 2009

40

Solution-Phase and Magnetic Approach towards Understanding Iron Gall Ink-like Nanoassemblies

Dr. Harshita Kumari, Dr. Steven R. Kline, Dr. Cindi L. Dennis, Andrew V. Mossine, Dr. Rick L. Paul, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie

Année:

2012

Langue:

english

Fichier:

PDF, 853 KB

english, 2012

41

Titelbild: Solution-Phase and Magnetic Approach towards Understanding Iron Gall Ink-like Nanoassemblies (Angew. Chem. 37/2012)

Dr. Harshita Kumari, Dr. Steven R. Kline, Dr. Cindi L. Dennis, Andrew V. Mossine, Dr. Rick L. Paul, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie

Année:

2012

Fichier:

PDF, 261 KB

2012

42

Solution-Phase and Magnetic Approach towards Understanding Iron Gall Ink-like Nanoassemblies

Dr. Harshita Kumari, Dr. Steven R. Kline, Dr. Cindi L. Dennis, Andrew V. Mossine, Dr. Rick L. Paul, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie International Edition

Année:

2012

Langue:

english

Fichier:

PDF, 864 KB

english, 2012

43

Cover Picture: Solution-Phase and Magnetic Approach towards Understanding Iron Gall Ink-like Nanoassemblies (Angew. Chem. Int. Ed. 37/2012)

Dr. Harshita Kumari, Dr. Steven R. Kline, Dr. Cindi L. Dennis, Andrew V. Mossine, Dr. Rick L. Paul, Prof. Carol A. Deakyne, Prof. Jerry L. Atwood

Journal:

Angewandte Chemie International Edition

Année:

2012

Fichier:

PDF, 264 KB

2012

44

Multiligand zinc(II) hydroxide complexes: Zn(OH)2X2Y and Zn(OH)2X1,2Y2; X = H2O, CH3OH and Y = NH3, C5H5N

Collin M. Mayhan, Tamas J. Szabo, John E. Adams, Carol A. Deakyne

Journal:

Computational and Theoretical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 839 KB

english, 2012

45

The Effect of Ketamine on Intraocular Pressure in Pediatric Patients During Procedural Sedation

Sarah M. Halstead, Sara J. Deakyne, Lalit Bajaj, Robert Enzenauer, Genie E. Roosevelt

Journal:

Academic Emergency Medicine

Année:

2012

Langue:

english

Fichier:

PDF, 307 KB

english, 2012

46

Method and basis set analysis of oxorhenium(V) complexes for theoretical calculations

Dustin Wayne Demoin, Yawen Li, Silvia S. Jurisson, Carol A. Deakyne

Journal:

Computational and Theoretical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 512 KB

english, 2012

47

Gas-phase reactions of weak Broensted bases I-, PO3-, HSO4-, FSO3-, and CF3SO3- with strong Broensted acids H2SO4, FSO3H, and CF3SO3H. A quantitative intrinsic superacidity scale for the sulfonic acids XSO3H (X = HO, F, and CF3)

Viggiano, A. A., Henchman, M. J., Dale, F., Deakyne, C. A., Paulson, J. F.

Journal:

Journal of the American Chemical Society

Année:

1992

Langue:

english

Fichier:

PDF, 1.08 MB

english, 1992

48

Magnetic Differentiation of Pyrogallol[4]arene Tubular and Capsular Frameworks

Kumari, Harshita, Dennis, Cindi L., Mossine, Andrew V., Deakyne, Carol A., Atwood, Jerry L.

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 3.79 MB

english, 2013

49

Molecular Dynamics of Host−Guest Complexes of Small Gas Molecules with Calix[4]arenes

Adams, John E., Cox, Jack R., Christiano, Andrew J., Deakyne, Carol A.

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 409 KB

english, 2008

50

Knowledge of a Molecule: An Experimental and Theoretical Study of the Structure and Enthalpy of Formation of Tetrahydro-2 H -1,3-oxazine-2-thione

Roux, Maria Victoria, Temprado, Manuel, Jiménez, Pilar, Notario, Rafael, Parameswar, Archana R., Demchenko, Alexei V., Chickos, James S., Deakyne, Carol A., Liebman, Joel F.

Journal:

Journal of Chemical & Engineering Data

Année:

2011

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2011