E-LIB Suche - Ergebnisse für: Smith, Dayle M

1

Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inh..:

Glaser, Jens ; Sedova, Ada ; Galanie, Stephanie...
ACS Pharmacology & Translational Science. 5 (2022) 4 - p. 255-265 , 2022

Link: https://doi.org/10.1021/..

2

Proton Dynamics on Goethite Nanoparticles and Coupling to E..:

Zarzycki, Piotr ; Smith, Dayle M. ; Rosso, Kevin M.
Journal of Chemical Theory and Computation. 11 (2015) 4 - p. 1715-1724 , 2015

Link: https://doi.org/10.1021/..

3

Modulation of active site electronic structure by the prote..:

Smith, Dayle M. A. ; Raugei, Simone ; Squier, Thomas C.
Phys. Chem. Chem. Phys.. 16 (2014) 43 - p. 24026-24033 , 2014

Link: https://doi.org/10.1039/..

4

Possible Dynamically Gated Conductance along Heme Wires in ..:

Smith, Dayle M. A. ; Rosso, Kevin M.
The Journal of Physical Chemistry B. 118 (2014) 29 - p. 8505-8512 , 2014

Link: https://doi.org/10.1021/..

5

Force-Field Development and Molecular Dynamics of [NiFe] Hy..:

Smith, Dayle M. A. ; Xiong, Yijia ; Straatsma, T. P...
Journal of Chemical Theory and Computation. 8 (2012) 6 - p. 2103-2114 , 2012

Link: https://doi.org/10.1021/..

6

Structure Activity Relationship of Antiproliferative Agents..:

Winfield, Leyte L. ; Inniss, Tasha R. ; Smith, Dayle M.
Chemical Biology & Drug Design. 74 (2009) 3 - p. 309-316 , 2009

Link: https://doi.org/10.1111/..

7

Electronic Coupling between Heme Electron-Transfer Centers ..:

Smith, Dayle M. A. ; Rosso, Kevin M. ; Dupuis, Michel..
The Journal of Physical Chemistry B. 110 (2006) 31 - p. 15582-15588 , 2006

Link: https://doi.org/10.1021/..

8

Multiplet splittings and other properties from density func..:

Smith *, Dayle M. A. ; Dupuis, Michel ; Straatsma, T. P.
Molecular Physics. 103 (2005) 2-3 - p. 273-278 , 2005

Link: https://doi.org/10.1080/..

9

Reaction of hydroquinone with hematite:

Stack, Andrew G. ; Rosso, Kevin M. ; Smith, Dayle M.A..
Journal of Colloid and Interface Science. 274 (2004) 2 - p. 442-450 , 2004

Link: https://doi.org/10.1016/..

10

Aspects of Aqueous Iron and Manganese (II/III) Self-Exchang..:

Rosso, Kevin M. ; Smith, Dayle M. A. ; Dupuis, Michel
The Journal of Physical Chemistry A. 108 (2004) 24 - p. 5242-5248 , 2004

Link: https://doi.org/10.1021/..

11

Self-Exchange Electron Transfer Kinetics and Reduction Pote..:

Rosso, Kevin M. ; Smith, Dayle M. A. ; Wang, Zheming..
The Journal of Physical Chemistry A. 108 (2004) 16 - p. 3292-3303 , 2004

Link: https://doi.org/10.1021/..

12

Characterization of Electronic Structure and Properties of ..:

Smith, Dayle M. A. ; Dupuis, Michel ; Vorpagel, Erich R..
Journal of the American Chemical Society. 125 (2003) 9 - p. 2711-2717 , 2003

Link: https://doi.org/10.1021/..

13

An ab initio model of electron transport in hematite (α-Fe2..:

Rosso, Kevin M. ; Smith, Dayle M. A. ; Dupuis, Michel
The Journal of Chemical Physics. 118 (2003) 14 - p. 6455-6466 , 2003

Link: https://doi.org/10.1063/..

14

Developing Leadership Abilities:

Bell, Arthur H ; Smith, Dayle M , 2001

Link: https://learning.oreilly..

15

Cytosine anions: abinitio study:

Smith, Dayle M.A ; Jalbout, Abraham F ; Smets, Johan.
Chemical Physics. 260 (2000) 1-2 - p. 45-51 , 2000

Link: https://doi.org/10.1016/..