Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation.

about

Implementation and performance of the artificial force induced reaction method in the GRRM17 program.Computational design of high-performance ligand for enantioselective Markovnikov hydroboration of aliphatic terminal alkenes.

P2860

Q47350975-F247D6BF-23F1-4B35-A54D-11587FCD9B39 Q55196797-4A961130-7AF6-449D-AA20-D3486AE3EE97

P2860

Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation.

Item

http://www.wikidata.org/entity/Q41816835

description

2017 nî lūn-bûn

@nan

2017年の論文

@ja

2017年論文

@yue

2017年論文

@zh-hant

2017年論文

@zh-hk

2017年論文

@zh-mo

2017年論文

@zh-tw

2017年论文

@wuu

2017年论文

@zh

2017年论文

@zh-cn

name

Exploring the full catalytic c ...... pproach for path optimisation.

@en

type

Item

label

Exploring the full catalytic c ...... pproach for path optimisation.

@en

prefLabel

Exploring the full catalytic c ...... pproach for path optimisation.

@en

P1476

Exploring the full catalytic c ...... approach for path optimisation

@en

P2093

Keiji Morokuma

http://www.w3.org/2001/XMLSchema#string

Takayoshi Yoshimura

http://www.w3.org/2001/XMLSchema#string

P2860

Agostic interactions in transition metal compounds

Density-functional thermochemistry. III. The role of exact exchange

Undirected, Homogeneous C-H Bond Functionalization: Challenges and Opportunities

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

Toward efficient asymmetric hydrogenation: architectural and functional engineering of chiral molecular catalysts

The ONIOM Method and Its Applications.

Sampling of Transition States for Predicting Diastereoselectivity Using Automated Search Method-Aqueous Lanthanide-Catalyzed Mukaiyama Aldol Reaction.

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu.

Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods.

Lowest transition state for the chirality-determining step in Ru((R)-BINAP)-catalyzed asymmetric hydrogenation of methyl-3-oxobutanoate.

P304

4475-4488

http://www.w3.org/2001/XMLSchema#string

P31

scholarly article

P356

10.1039/C7SC00401J

http://www.w3.org/2001/XMLSchema#string

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P50

P577

2017-05-03T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

28970877

http://www.w3.org/2001/XMLSchema#string

P932

5618337

http://www.w3.org/2001/XMLSchema#string

Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation.

about

P2860

P2860

Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P932