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1

A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error

Joshua A. Plumley, J. J. Dannenberg

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 107 KB

english, 2011

2

Periodic Trends and Index of Boron Lewis Acidity

Plumley, Joshua A., Evanseck, Jeffrey D.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 607 KB

english, 2009

3

The interactions of phenylalanines in β-sheet-like structures from molecular orbital calculations using density functional theory (DFT), MP2, and CCSD(T) methods

Pohl, Gabor, Plumley, Joshua A., Dannenberg, J. J.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 600 KB

english, 2013

4

The Importance of Hydrogen Bonding between the Glutamine Side Chains to the Formation of Amyloid VQIVYK Parallel β-Sheets: An ONIOM DFT/AM1 Study

Plumley, Joshua A., Dannenberg, J. J.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 195 KB

english, 2010

5

Covalent and Ionic Nature of the Dative Bond and Account of Accurate Ammonia Borane Binding Enthalpies

Plumley, Joshua A., Evanseck, Jeffrey D.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 295 KB

english, 2007

6

Hybrid Meta-Generalized Gradient Functional Modeling of Boron−Nitrogen Coordinate Covalent Bonds

Plumley, Joshua A., Evanseck, Jeffrey D.

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 74 KB

english, 2008

7

Aggregation of Capped Hexaglycine Strands into Hydrogen-Bonding Motifs Representative of Pleated and Rippled β-Sheets, Collagen, and Polyglycine I and II Crystal Structures. A Density Functional Theory Study

Plumley, Joshua A., Tsai, Midas (I-Hsien), Dannenberg, J. J.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.93 MB

english, 2011

8

Comparison of β-Sheets of Capped Polyalanine with Those of the Tau-Amyloid Structures VQIVYK and VQIINK. A Density Functional Theory Study

Plumley, Joshua A., Dannenberg, J. J.

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.51 MB

english, 2011

9

Anomeric Effect in “High Energy” Phosphate Bonds. Selective Destabilization of the Scissile Bond and Modulation of the Exothermicity of Hydrolysis

Ruben, Eliza A., Plumley, Joshua A., Chapman, Michael S., Evanseck, Jeffrey D.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 393 KB

english, 2008

10

Capping Amyloid β-Sheets of the Tau-Amyloid Structure VQIVYK with Hexapeptides Designed To Arrest Growth. An ONIOM and Density Functional Theory Study

Plumley, Joshua A., Ali-Torres, Jorge, Pohl, Gabor, Dannenberg, J. J.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 3.45 MB

english, 2014

11

[American Institute of Aeronautics and Astronautics 55th AIAA Aerospace Sciences Meeting - Grapevine, Texas ()] 55th AIAA Aerospace Sciences Meeting - Transonic Semispan Aerodynamic Testing of the Hybrid Wing Body with Over Wing Nacelles in the National Transonic Facility

Chan, David T., Hooker, John R., Wick, Andrew T., Plumley, Ryan, Zeune, Cale, Ol, Michael V., DeMoss, Joshua A.

Language:

english

File:

PDF, 11.04 MB

english