E-LIB Suche - Ergebnisse für: Jeffrey Hay, P.

1

Beyond Molecular Orbital Theory: The Impact of Generalized ..:

, In: Computational Materials, Chemistry, and Biochemistry: From Bold Initiatives to the Last Mile; Springer Series in Materials Science,

Dunning, Thom H. ; Jeffrey Hay, P. - p. 55-87 , 2021

Link: https://doi.org/10.1007/..

2

Theoretical studies of pentene cracking on zeolites: C–C β-..:

Jeffrey Hay, P ; Redondo, Antonio ; Guo, Yuejin
Catalysis Today. 50 (1999) 3-4 - p. 517-523 , 1999

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

3

Application of gradient-corrected density functional theory..:

Russo, Thomas V. ; Martin, Richard L. ; Jeffrey Hay, P.
The Journal of Chemical Physics. 102 (1995) 20 - p. 8023-8028 , 1995

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

4

Molecular electronic structure approaches to finite assembl..:

Jeffrey Hay, P. ; Martin, Richard L. ; Boyle, Caroline A.
Synthetic Metals. 42 (1991) 3 - p. 2768 , 1991

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

5

THE SYNTHESIS AND ACTINIDE AND LANTHANIDE COMPLEXATION OF" ..:

Smith, Barbara F ; Jarvinen, Gordon D. ; Jones, Marianne M..
Solvent Extraction and Ion Exchange. 7 (1989) 5 - p. 749-765 , 1989

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

6

Theoretical Study of Water Oxidation by the Ruthenium Blue ..:

Bianco, Roberto ; Hay, P. Jeffrey ; Hynes, James T.
The Journal of Physical Chemistry B. 117 (2013) 49 - p. 15761-15773 , 2013

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

7

Proton relay and electron flow in the O–O single bond forma..:

Bianco, Roberto ; Hay, P. Jeffrey ; Hynes, James T.
Energy & Environmental Science. 5 (2012) 7 - p. 7741 , 2012

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

8

Titanium(IV) Trifluoromethyl Complexes: New Perspectives on..:

Taw, Felicia L. ; Clark, Aurora E. ; Mueller, Alexander H....
Organometallics. 31 (2012) 4 - p. 1484-1499 , 2012

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

9

Theoretical Study of O–O Single Bond Formation in the Oxida..:

Bianco, Roberto ; Hay, P. Jeffrey ; Hynes, James T.
The Journal of Physical Chemistry A. 115 (2011) 27 - p. 8003-8016 , 2011

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

10

Organometallic Uranium(V)−Imido Halide Complexes: From Synt..:

Graves, Christopher R. ; Yang, Ping ; Kozimor, Stosh A....
Journal of the American Chemical Society. 130 (2008) 15 - p. 5272-5285 , 2008

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

11

Revised Basis Sets for the LANL Effective Core Potentials:

Roy, Lindsay E. ; Hay, P. Jeffrey ; Martin, Richard L.
Journal of Chemical Theory and Computation. 4 (2008) 7 - p. 1029-1031 , 2008

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

12

Evidence for the Involvement of 5f Orbitals in the Bonding ..:

Cantat, Thibault ; Graves, Christopher R. ; Jantunen, Kimberly C....
Journal of the American Chemical Society. 130 (2008) 51 - p. 17537-17551 , 2008

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

13

Theoretical Studies on the Redox Potentials of Fe Dinuclear..:

Roy, Lindsay E. ; Batista, Enrique R. ; Hay, P. Jeffrey
Inorganic Chemistry. 47 (2008) 20 - p. 9228-9237 , 2008

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

14

Theoretical Studies of the sp2 versus sp3 C−H Bond Activati..:

Yang, Ping ; Warnke, Ingolf ; Martin, Richard L..
Organometallics. 27 (2008) 7 - p. 1384-1392 , 2008

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

15

Covalency Trends in Group IV Metallocene Dichlorides. Chlor..:

Kozimor, Stosh A. ; Yang, Ping ; Batista, Enrique R....
Inorganic Chemistry. 47 (2008) 12 - p. 5365-5371 , 2008

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