Skip to main content
Nubint
智能体
资源
价格方案
关于我们
ZH
Home
论文解读
Chemistry
Chemistry 论文解读
Chemistry 领域重要论文的 AI 解读列表，按研究动机、方法与结果结构化呈现。
全部
Computer Science
Mathematics
Physics and Astronomy
Engineering
Materials Science
Chemistry
Chemical Engineering
Earth and Planetary Sciences
Environmental Science
Energy
Biochemistry, Genetics and Molecular Biology
Neuroscience
Immunology and Microbiology
Agricultural and Biological Sciences
Medicine
Pharmacology, Toxicology and Pharmaceutics
Health Professions
Economics, Econometrics and Finance
Business, Management and Accounting
Decision Sciences
Social Sciences
Psychology
Arts and Humanities
Filter
829 results
Extending numerical simulations in SIMPSON: Electron paramagnetic resonance, dynamic nuclear polarisation, propagator splitting, pulse transients, and quadrupolar cross terms
David L. Goodwin, José P. Carvalho, +5
arXiv (Cornell University)
|
2026
|
0 citations
HBAT 2: A Python Package to Analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures
Tiwari, Abhishek
arXiv (Cornell University)
|
2026
|
0 citations
Hierarchical Crystal Structure Prediction of Zeolitic Imidazolate Frameworks Using DFT and Machine-Learned Interatomic Potentials
Yizhi Xu, Jordan Dorrell, +5
arXiv (Cornell University)
|
2026
|
0 citations
High-Resolution Electron Paramagnetic Resonance
Colin J. Stephen, Anton Tcholakov, +8
arXiv (Cornell University)
|
2026
|
0 citations
In situ Learning-Based Spin Engineering of Pulsed Dynamic Nuclear Polarization
Filip Jensen, José P. Carvalho, +7
arXiv (Cornell University)
|
2026
|
0 citations
Learning to Dock: Geometric Deep Learning for Predicting Supramolecular Host-Guest Complexes
Zidi Wang, Tao Zhang, +8
arXiv (Cornell University)
|
2026
|
0 citations
Molecular origin of 31P-NMR chemical shifts of phosphate groups with bivalent counter ions
Leo Christanell, Karl-Jakob König, +3
arXiv (Cornell University)
|
2026
|
0 citations
On the challenge of simulating dipolar contributions to spin relaxation with generalized cluster correlation expansion methods
C. Ryan, Alessandro Lunghi
arXiv (Cornell University)
|
2026
|
0 citations
Phaseless auxiliary-field quantum Monte Carlo method with spin-orbit coupling
Zheng Liu, Shiwei Zhang, +1
arXiv (Cornell University)
|
2026
|
0 citations
Quantitative study of Silicon Waveguides for the Generation of Quantum Correlated Photon Pairs Bridging Mid-Infrared and Telecom Bands
Abhishek Pandey, Deepak Jain, +1
arXiv (Cornell University)
|
2026
|
0 citations
79
80
81
82
83
