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Inorganic Chemistry

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bond energy

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5 results in Keywords: bond energy

Physical Chemistry

A Bond Charge Model Ansatz for Intrinsic Bond Energies: Application to C-C Bonds

Rubén Laplaza, Victor Polo, Julia Contreras-García

Version 1 posted 16 October 2019

477

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Theoretical and Computational Chemistry

General QSPR Protocol for Atomic/Inter-atomic Properties Predictions: Fragments based Graph Convolutional Neural Network (F-GCN)

Peng Gao, Jie Zhang, Hongbo Qiu, Shuaifei Zhao

Version 1 posted 23 February 2021

361

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Theoretical and Computational Chemistry

The ‘Inverted Bond’ revisited. Analysis of ‘in silico’ models and of [1.1.1]Propellane using Orbital Forces

Rubén Laplaza, Julia Contreras-García, Franck Fuster, François Volatron, Patrick Chaquin

Version 4 posted 29 October 2019

1,859

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Inorganic Chemistry

Iron Complexes of a Proton-Responsive SCS Pincer Ligand with Sensitive Electronic Structure

Kazimer Skubi, Reagan Hooper, Brandon Mercado, Melissa Bollmeyer, Samantha MacMillan, Kyle Lancaster, Patrick Holland

Version 1 posted 02 November 2021

605

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Physical Chemistry

A General Nucleation Model For Semiconductor Nanocrystals

Zifei Chen, Salvy Russo, Paul Mulvaney

Version 2 posted 11 June 2024

308

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