Prediction of Stereochemistry using Q2MM.

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http://www.wikidata.org/entity/Q35985618

description

2016 nî lūn-bûn

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2016年の論文

@ja

2016年論文

@yue

2016年論文

@zh-hant

2016年論文

@zh-hk

2016年論文

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2016年論文

@zh-tw

2016年论文

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2016年论文

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2016年论文

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name

Prediction of Stereochemistry using Q2MM.

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Prediction of Stereochemistry using Q2MM.

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type

Item

label

Prediction of Stereochemistry using Q2MM.

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Prediction of Stereochemistry using Q2MM.

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prefLabel

Prediction of Stereochemistry using Q2MM.

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Prediction of Stereochemistry using Q2MM.

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P1476

Prediction of Stereochemistry using Q2MM.

@en

P2093

Anthony R Rosales

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Brandon Tutkowski

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

Olaf Wiest

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

P2860

Prediction of enantioselectivity in rhodium catalyzed hydrogenations.

Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactions.

AUTOMATED FORCE FIELD PARAMETERIZATION FOR NON-POLARIZABLE AND POLARIZABLE ATOMIC MODELS BASED ON AB INITIO TARGET DATA

Stereoselectivity in Asymmetric Catalysis: The Case of Ruthenium-Catalyzed Ketone Hydrogenation.

Automation of AMOEBA polarizable force field parameterization for small molecules

Development of a True Transition State Force Field from Quantum Mechanical Calculations.

Development of a Q2MM Force Field for the Asymmetric Rhodium Catalyzed Hydrogenation of Enamides.

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

QuickFF: A program for a quick and easy derivation of force fields for metal-organic frameworks from ab initio input.

Unravelling the mechanism of the asymmetric hydrogenation of acetophenone by [RuX2(diphosphine)(1,2-diamine)] catalysts.

P304

996-1005

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P31

scholarly article

P356

10.1021/ACS.ACCOUNTS.6B00037

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P433

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

P478

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

P50

Per-Ola Norrby

Eric Hansen

P577

2016-04-11T00:00:00Z

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P698

27064579

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P932

4879660

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