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浏览/检索结果: 共151条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Recent implementations in kylin 1.3: Improved computational efficiency of ab initio DMRG and a spin-adapted version of EC-MRCI 期刊论文  OAI收割 CHINESE JOURNAL OF CHEMICAL PHYSICS, 2025, 卷号: 38, 期号: 4, 页码: 447-456 作者:  Song, Yinxuan;  Tian, Yingqi;  Cheng, Yifan;  Ma, Haibo   |  收藏  |   Fast and Scalable Neural Network Quantum States Method for Molecular Potential Energy Surfaces 期刊论文  OAI收割 IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS, 2025, 卷号: 36, 期号: 7, 页码: 1431-1443 作者:  Wu, Yangjun;  Cao, Wanlu;  Zhao, Jiacheng;  Shang, Honghui   |  收藏  |   Acidity of Atmospheric Waters Induces Enhanced H2O2 Production through Photosensitized Chemistry of Phenolic Substances 期刊论文  OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2025, 卷号: 9, 期号: 1, 页码: 169-177 作者:  Xie, Yingxin;  Deng, Qingxin;  He, Bowen;  Liu, Siyu;  He, Jiazhuo   |  收藏  |   MPS-VQE: A variational quantum computational chemistry simulator with matrix product states 期刊论文  OAI收割 COMPUTER PHYSICS COMMUNICATIONS, 2024, 卷号: 294, 页码: 9 作者:  Xu, Zhiqian;  Fan, Yi;  Guo, Chu;  Shang, Honghui   |  收藏  |   Photophysical Exploration of Alectinib and Rilpivirine: Insights from Theory and Experiment 期刊论文  OAI收割 MOLECULES, 2023, 卷号: 28, 期号: 16, 页码: 16 作者:  Zhang, Chun;  Yang, Yuting;  Gan, Suya;  Ren, Aimin;  Zhou, Yu-Bo   |  收藏  |   Efficient Recovery of Dichloromethane from Tail Gas by 1-Alkyl-2-ethylimidazole Ethyl Sulfate and 1-Ethylpyridine Ethyl Sulfate 期刊论文  OAI收割 Industrial and Engineering Chemistry Research, 2022, 卷号: 61, 期号: 34, 页码: 12699-12709 作者:  Shi, Qiangbing;  Wang, Kaixuan;  Wang, Mengjun;  Li, Tao;  Ren, Baozeng   |  收藏  |   Preparation of 5-methyl-3,5-dipropyl-2-pyrazoline catalyzed by chloroaluminate ionic liquids 期刊论文  OAI收割 Journal of Molecular Structure, 2022, 卷号: 1256 作者:  Chang, Jinyu;  Yao, Yuan;  Xia, Yangfeng;  Liu, Long;  Zhang, Yanqiang   |  收藏  |   Defining kerogen maturity from orbital hybridization by machine learning 期刊论文  OAI收割 FUEL, 2022, 卷号: 310, 页码: 10 作者:  Ma J(马俊);  Kang DL(康东亮);  Wang XH(王晓荷);  Zhao YP(赵亚溥)   |  收藏  |   典型卤代酚的大气转化反应自由基机制理论研究 学位论文  OAI收割 北京: 中国科学院大学；中国科学院生态环境研究中心, 2021 作者:  常嘉敏   |  收藏  |   Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding 期刊论文  OAI收割 JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12 作者:  Zhang, Qihua;  Smalley, Adam;  Zhu, Zhengdan;  Xu, Zhijian;  Peng, Cheng   |  收藏  |