A potential with low point charges for pure siliceous zeolites.

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CPMD/GULP QM/MM interface for modeling periodic solids: Implementation and its application in the study of Y-zeolite supported Rhn clusters.

P2860

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P2860

A potential with low point charges for pure siliceous zeolites.

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http://www.wikidata.org/entity/Q40836750

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2015 nî lūn-bûn

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2015年の論文

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2015年学术文章

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2015年学术文章

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2015年学术文章

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name

A potential with low point charges for pure siliceous zeolites.

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type

Item

label

A potential with low point charges for pure siliceous zeolites.

@en

prefLabel

A potential with low point charges for pure siliceous zeolites.

@en

P1476

A potential with low point charges for pure siliceous zeolites.

@en

P2093

Sudhir K Sahoo

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P2860

Canonical dynamics: Equilibrium phase-space distributions

Development of an empirical force field for silica. Application to the quartz-water interface

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

Zeolites as catalysts in oil refining.

Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity.

Ab initio simulations reveal that reaction dynamics strongly affect product selectivity for the cracking of alkanes over H-MFI.

Selection and Validation of Charge and Lennard-Jones Parameters for QM/MM Simulations of Hydrocarbon Interactions with Zeolites.

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

The General Utility Lattice Program (GULP)

Thermal behaviour of siliceous faujasite: Further structural interpretation of negative thermal expansion

P304

1562-1567

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P31

scholarly article

P356

10.1002/JCC.23968

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P433

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

P478

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

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Nisanth N Nair

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2015-06-15T00:00:00Z

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P698

26073460

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P921

zeolite

A potential with low point charges for pure siliceous zeolites.

about

P2860

P2860

A potential with low point charges for pure siliceous zeolites.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P921

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P921