| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A computational study of phosphine ligand effects in Suzuki–Miyaura coupling
|
Jover, Jesús
|
|
2010
|
324 |
1-2 |
p. 39-47
9 p.
|
artikel
|
| 2 |
A computational study of solution equilibria of platinum-based ethylene hydroamination catalytic species including solvation and counterion effects: Proper treatment of the free energy of solvation
|
Dub, Pavel A.
|
|
2010
|
324 |
1-2 |
p. 89-96
8 p.
|
artikel
|
| 3 |
A systematic study on the RuHCl–BINAP-catalyzed asymmetric hydrogenation mechanism by the global reaction route mapping method
|
Ohno, Koichi
|
|
2010
|
324 |
1-2 |
p. 133-140
8 p.
|
artikel
|
| 4 |
Binding energy of d10 transition metals to alkenes by wave function theory and density functional theory
|
Averkiev, Boris B.
|
|
2010
|
324 |
1-2 |
p. 80-88
9 p.
|
artikel
|
| 5 |
Computational investigations of the stereoselectivities of proline-related catalysts for aldol reactions
|
Allemann, Christophe
|
|
2010
|
324 |
1-2 |
p. 31-38
8 p.
|
artikel
|
| 6 |
Computational study of P t Bu3 as ligand in the palladium-catalysed amination of phenylbromide with morpholine
|
McMullin, Claire L.
|
|
2010
|
324 |
1-2 |
p. 48-55
8 p.
|
artikel
|
| 7 |
Contents
|
|
|
2010
|
324 |
1-2 |
p. vi-x
nvt p.
|
artikel
|
| 8 |
Defining the optimal inductive and steric requirements for a cross-coupling catalyst using the energetic span model
|
Kozuch, Sebastian
|
|
2010
|
324 |
1-2 |
p. 120-126
7 p.
|
artikel
|
| 9 |
Editorial Board
|
|
|
2010
|
324 |
1-2 |
p. iii-
1 p.
|
artikel
|
| 10 |
Hydrogenation of carbon-heteroatom unsaturated bonds: An assessment of consistency of density functional methods
|
Nyhlén, Jonas
|
|
2010
|
324 |
1-2 |
p. 97-103
7 p.
|
artikel
|
| 11 |
Iridium catalyzed hydrogenation of CO2 under basic conditions—Mechanistic insight from theory
|
Ahlquist, Mårten S.G.
|
|
2010
|
324 |
1-2 |
p. 3-8
6 p.
|
artikel
|
| 12 |
Mechanism of the oxidative addition of hypervalent iodonium salts to palladium(II) pincer-complexes
|
Szabó, Kálmán J.
|
|
2010
|
324 |
1-2 |
p. 56-63
8 p.
|
artikel
|
| 13 |
Mechanistic insights into the double C–H (de)activation route of a Ru-based olefin metathesis catalyst
|
Poater, Albert
|
|
2010
|
324 |
1-2 |
p. 75-79
5 p.
|
artikel
|
| 14 |
[No title]
|
Norrby, Per-Ola
|
|
2010
|
324 |
1-2 |
p. 1-2
2 p.
|
artikel
|
| 15 |
On the mechanism of the rhodium catalyzed acrylamide hydrogenation
|
Verdolino, Vincenzo
|
|
2010
|
324 |
1-2 |
p. 9-14
6 p.
|
artikel
|
| 16 |
On the nature of the active site in ruthenium olefin coordination–insertion polymerization catalysts
|
Heyndrickx, Wouter
|
|
2010
|
324 |
1-2 |
p. 64-74
11 p.
|
artikel
|
| 17 |
Origin of enantioselectivity in asymmetric Pauson–Khand reactions catalyzed by [(BINAP)Co2(CO)6]
|
Fjermestad, Torstein
|
|
2010
|
324 |
1-2 |
p. 127-132
6 p.
|
artikel
|
| 18 |
Oxygen atom transfer catalysis: Ligand effects on the key reaction barrier in molybdenum (VI) dioxo systems
|
Keith, Jason M.
|
|
2010
|
324 |
1-2 |
p. 15-23
9 p.
|
artikel
|
| 19 |
Quantum molecular interaction field models of substrate enantioselection in asymmetric processes
|
Kozlowski, Marisa C.
|
|
2010
|
324 |
1-2 |
p. 141-145
5 p.
|
artikel
|
| 20 |
Real size of ligands, reactants and catalysts: Studies of structure, reactivity and selectivity by ONIOM and other hybrid computational approaches
|
Ananikov, Valentine P.
|
|
2010
|
324 |
1-2 |
p. 104-119
16 p.
|
artikel
|
| 21 |
Rhodium(I) mediated arylation of aldehydes with arylboronic acids under base and water free conditions: A computational study
|
Suarez, Alma Itzel Olivos
|
|
2010
|
324 |
1-2 |
p. 24-30
7 p.
|
artikel
|
| 22 |
Theory and application of medium to high throughput prediction method techniques for asymmetric catalyst design
|
Corbeil, Christopher R.
|
|
2010
|
324 |
1-2 |
p. 146-155
10 p.
|
artikel
|
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