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First-principles Computations

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2 results in Keywords: First-principles Computations

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Category: Energy

A Simple Chemical Guide for Finding Novel n-type Dopable Zintl Pnictide Thermoelectric Materials

, Authors: Prashun Gorai, Anuj Goyal, Eric S. Toberer, Vladan Stevanovic

Version 1 posted 10 April 2019

1,051

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Category: Organic Chemistry

Carbon-Carbon Double Bonds with a Covalent σ and an Ionic p-Bond in Anti-Bredt Olefins

, Authors: Muhammad Yasir Mehboob, Emran Masoumifeshani, Cina Foroutan-Nejad

Version 1 posted 22 November 2024

334

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ISSN 2573-2293 (Online) ChemRxiv Archive

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