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O-H...Pi bonded 1:1 benzene - water complex: DFT input and output files

NIAID Data Ecosystem2026-03-14 收录

分子间氢键计算

量子模拟

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https://data.mendeley.com/datasets/38ty46rcyd 数据链接链接失效反馈

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O-H...Pi bonded benzene - water complex: B3LYP - input and output files

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创建时间：

2023-01-18

凝聚态物理

量子模拟

In the article of "The role of electron-electron interactions in two dimensional Dirac fermions", we present the analysis of the unequal time Green's function to find the Fermi velocity according to t

DataCite Commons2020-09-02 更新130

Quantum simulation of oscillatory Unruh effect with superposed trajectories

量子模拟

量子引力现象

The Unruh effect predicts an astonishing phenomenon that an accelerated detector would detect counts despite being in a quantum field vacuum in the rest frame.Since the required detector acceleration

中国科学数据2026-01-04 更新60

Data publication: Generalized density functional theory framework for the non...

密度泛函理论计算

量子模拟

The input files, log files, and scripts used for KSDFT and OFDFT calculations, along with the raw data for generating figures, are included. This data is presented in the paper...

B2FIND40

source_data.rar

量子模拟

离子阱技术

source data of 4 figures in the main text for Nature manuscript "A Site-Resolved 2D Quantum Simulator with Hundreds of Trapped Ions"

DataCite Commons2024-04-10 更新70

Software employed in "Orbital-basis Transformations for Hamiltonian simulation in Quantum Chemistry with Trotter formulae"

量子模拟

哈密顿量仿真

This repository contains the in-house software, which was used to produce data and figures for the article 'Orbital-basis Transformations for Hamiltonian simulation in Quantum Chemistry with Trotter f

Zenodo2026-06-03 更新50

O-H...Pi bonded 1:1 benzene - water complex: DFT input and output files

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