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metadynamics

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1chemistry 1corannulene 1density functional theory 1graphene 1graphene oxide 1kinetics 1plumed 1proton transfer 1thermochemistry

1Aradi, Balint 1Page, Alister J.

1journal article 1thesis

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12018 12019

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1No 1Yes

1chemistry 1corannulene 1density functional theory 1graphene 1graphene oxide 1kinetics 1plumed 1proton transfer 1thermochemistry

1Aradi, Balint 1Page, Alister J.

1journal article 1thesis

Date

12018 12019

1Adobe Acrobat PDF

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Quantum chemical investigation of the growth and chemistry of graphene

- Mitchell, Izaac

Creator: Mitchell, Izaac
Resource Type: thesis
Date: 2019

Quantum chemical investigation of the growth and chemistry of graphene

Creator: Mitchell, Izaac
Resource Type: thesis
Date: 2019

Density functional tight binding-based free energy simulations in the DFTB plus program

- Mitchell, Izaac, Aradi, Balint, Page, Alister J.

Creator: Mitchell, Izaac , Aradi, Balint , Page, Alister J.
Resource Type: journal article
Date: 2018

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