Quantum Chemistry

382 papers from DOAJ

Quantum Chemistry Research Context

This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.

Showing 145-156 of 382

Exploiting subspace constraints and ab initio variational methods for quantum chemistry

Cica Gustiani, Richard Meister, Simon C Benjamin

2023 DOAJ New Journal of Physics

Finite element analysis on the near field properties of metallic cavities with atomic sharpness

Qiyuan Dai, Liang Ma, Li Li, Guangjun Tian

2023 DOAJ Results in Physics

First-Principles Modeling of Bottom-Up Synthesis of Carbon Quantum Dots

Danil W. Boukhvalov, Vladimir Yu. Osipov

2023 DOAJ Crystals

High quantum yield of In‐based halide perovskites for white light emission and flexible x‐ray scintillators

Dehai Liang, Xiaohui Liu, Binbin Luo, Qingkai Qian, Wensi Cai, Shuangyi Zhao, Jiangzhao Chen, Zhigang Zang

2023 DOAJ EcoMat

Modeling and performance study of CZTS solar cell with novel cupric oxide (CuO) as a bilayer absorber

A. A. Md. Monzur-Ul-Akhir, Saiful Islam, Md. Touhidul Imam, Sharnali Islam, Tasnia Hossain, Mohammad Junaebur Rashid

2023 DOAJ Memories - Materials, Devices, Circuits and Systems

N-Doped Graphene Quantum Dots Confined within Silica Nanochannels for Enhanced Electrochemical Detection of Doxorubicin

Chaoyan Zhang, Xiaoyu Zhou, Fei Yan, Jing Lin

2023 DOAJ Molecules

Optical Gain of Vertically Coupled Cd<sub>0.6</sub>Zn<sub>0.4</sub>Te/ZnTe Quantum Dots

Ming Mei, Minju Kim, Minwoo Kim, Inhong Kim, Hong Seok Lee, Robert A. Taylor, Kwangseuk Kyhm

2023 DOAJ Nanomaterials

Origins of Genetic Coding: Self-Guided Molecular Self-Organisation

Peter R. Wills

2023 DOAJ Entropy

Performance Investigations of InAs/InP Quantum-Dash Semiconductor Optical Amplifiers with Different Numbers of Dash Layers

Youxin Mao, Xiaoran Xie, Chunying Song, Zhenguo Lu, Philip J. Poole, Jiaren Liu, Mia Toreja, Yang Qi, Guocheng Liu, Pedro Barrios, Daniel Poitras, John Weber, Ping Zhao, Martin Vachon, Mohamed Rahim, Penghui Ma, Silas Chen, Ahmad Atieh

2023 DOAJ Micromachines

Phonon transition across an isotopic interface

Ning Li, Ruochen Shi, Yifei Li, Ruishi Qi, Fachen Liu, Xiaowen Zhang, Zhetong Liu, Yuehui Li, Xiangdong Guo, Kaihui Liu, Ying Jiang, Xin-Zheng Li, Ji Chen, Lei Liu, En-Ge Wang, Peng Gao

2023 DOAJ Nature Communications

Photogrammetry of Ultrafast Excited-State Intramolecular Proton Transfer Pathways in the Fungal Pigment Draconin Red

Janak Solaris, Taylor D. Krueger, Cheng Chen, Chong Fang

2023 DOAJ Molecules

Photoluminescence Redshift of AgInS2 Quantum Dots by Employing Shells with Graded Composition

Navapat KROBKRONG, Taro UEMATSU, Tsukasa TORIMOTO, Susumu KUWABATA

2023 DOAJ Electrochemistry