Prat-Resina, Xavier
31  Ergebnisse:
Personensuche X
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8

A QM/MM study on the last two steps of the catalytic cycle ..:

Jaña, Gonzalo ; Jiménez, Verónica ; Villà-Freixa, Jordi...
Computational and Theoretical Chemistry.  966 (2011)  1-3 - p. 159-166 , 2011
 
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10

Development of Effective Quantum Mechanical/Molecular Mecha..:

Riccardi, Demian ; Schaefer, Patricia ; Yang...
The Journal of Physical Chemistry B.  110 (2006)  13 - p. 6458-6469 , 2006
 
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11

"Proton Holes" in Long-Range Proton Transfer Reactions in S..:

Riccardi, Demian ; König, Peter ; Prat-Resina, Xavier...
Journal of the American Chemical Society.  128 (2006)  50 - p. 16302-16311 , 2006
 
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13

Dynamics of an Enzymatic Substitution Reaction in Haloalkan..:

Nam, Kwangho ; Prat-Resina, Xavier ; Garcia-Viloca, Mireia..
Journal of the American Chemical Society.  126 (2004)  5 - p. 1369-1376 , 2004
 
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14

DFT Computational Study of the Mechanism of Allyl Halides C..:

Bottoni, Andrea ; Miscione, Gian Pietro ; Novoa, Juan J..
Journal of the American Chemical Society.  125 (2003)  34 - p. 10412-10419 , 2003
 
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15

How important is the refinement of transition state structu..:

Prat-Resina, Xavier ; González-Lafont, Àngels ; Lluch, José M
Journal of Molecular Structure: THEOCHEM.  632 (2003)  1-3 - p. 297-307 , 2003
 
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