chemical-structure

Documents about chemical-structure

• Chemical structure and reactivity#1333374Open Library
• Organic structure analysis#1347544Open Library
• A Benchmark Evaluation of Chemical Structure Extraction from Patents: Insights and Challenges in Chemical Structure Recognition.#400695PubMed
• Similarity searching in chemical structure databases#279054White Rose Research Online
• The nature of the chemical bond and the structure of molecules and crystals#1333380Open Library
• Structural inorganic chemistry#1334395Open Library
• QUANTUM THEORY & ATOMIC STRUCTURE#1015421Diponegoro University | Institutional Repository (UNDIP-IR)
• Structure validation in chemical crystallography#6434OpenAlex
• Intracavity Photon Statistics from Correlated Molecular Electronic Structure#661196arXiv (OAI Expanded)
• Intracavity Photon Statistics from Correlated Molecular Electronic Structure#662246arXiv (All)
• Continuous perception and adaptive metrics for scalable structure refinement#1061477arXiv (All)
• Chemical potentials from structure factors: II. Charged multi-component mixtures#820684arXiv (All)
• Curvature-Aware Flow Matching for Molecular Structure Generation#1128855arXiv (All)
• Hierarchical universal open structure dataset for atomistic modeling#1357426arXiv (All)
• Structure-Dependent Chemical Order Modification in Strained Alloy Nanoparticles#1083126arXiv (OAI Expanded)
• A neglected aspect of the puzzle of chemical structure: how history helps#725129PhilArchive
• A Phase Space Electronic Structure View of The Solid State#999280arXiv (All)
• Towards decoding the structure of water-magnetite interface#1386881arXiv (All)
• Chemical structure and bonding in a thorium( iii )–aluminum heterobimetallic complex#624285eScholarship
• A Commentary on Robin Hendry’s Views on Molecular Structure, Emergence and Chemical Bonding#101157PhilArchive
• CHEMICAL COMPOSITION, STRUCTURE, AND PROPERTIES OF NATURAL SILK: A COMPREHENSIVE REVIEW#264512Zenodo (CERN)
• Linking Chemical Structure and Coherence Times of Molecular Spin Qubits.#415351NCBI PubMed Central
• Towards Reasonable Molecular Structure Elucidation from Infrared Spectroscopy with Chemical Feedback#618820arXiv (OAI Expanded)
• Towards Reasonable Molecular Structure Elucidation from Infrared Spectroscopy with Chemical Feedback#620499arXiv (All)
• Neural Network Based Molecular Structure Retrieval from Coulomb Explosion Imaging Data#920277arXiv (OAI Expanded)
• Neural Network Based Molecular Structure Retrieval from Coulomb Explosion Imaging Data#924508arXiv (All)
• Enabling Polaritonic Electronic Structure Theory for Psi4: The psi4-cbo package#1011436arXiv (All)
• Chemical-space completeness through iterative crystal-structure generation and model adaptation#1117277arXiv (All)
• CP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations#1128462arXiv (All)
• Viira, B.; Garcia-Sosa, A. T.; Maran, U. Chemical Structure and Correlation Analysis of HIV-1 NNRT and NRT Inhibitors and Database-Curated, Published Inhibition Constants with Chemical Structure in Diverse Datasets. J. Mol. Graph. Model. 2017, 76, 205-223.#933196QsarDB
• Anisotropy and transport properties of tubular C-BN Janus nanostructures#460162Digital Commons @ Michigan Tech
• Dodecahydrogen uranium: an icosahedral f-electron superatom with 26-electron shell structure#822285arXiv (All)
• Transformers Discover Molecular Structure Without Graph Priors#1034677arXiv (All)
• MolP2SBench: Do LLMs Really Reason from Molecular Properties to Structure?#1296529arXiv (All)
• Towards an absolute aromaticity scale from localization-delocalization matrix approach#418002HAL (France)
• A review of structure-based biodegradation estimation methods#353512Digital Commons @ Michigan Tech
• Phase structure of magnetized quark matter at imaginary chemical potential#821316arXiv (All)
• Communication: Becke Weights as a Partitioning Scheme for Phase Space Electronic Structure Theory#1106170arXiv (All)
• libterachem.py: Modular development of electronic structure methods with graphical processing units#1186854arXiv (All)
• Multi-Agent Closed-Loop Reasoning for Organic Structure Elucidation from Multimodal Spectra#609153arXiv (OAI Expanded)
• Near-frustration-free electronic structure Hamiltonian representations and lower bound certificates#998101arXiv (All)
• MAST: Motif-Augmented Diffusion with Search Tree for Spectroscopic Molecular Structure Elucidation#1249491arXiv (All)
• Molecular Minimal Representation Theory (MMRT): A Framework for Chemical Structure Compression and Hidden Structural Law Discovery#451058Zenodo (CERN)
• Electronic structure contribution to hydrogen bonding interaction of a water dimer#611190arXiv (OAI Expanded)
• Electronic structure contribution to hydrogen bonding interaction of a water dimer#612667arXiv (All)
• Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging#920271arXiv (OAI Expanded)
• Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging#924502arXiv (All)
• Collective Excitonic Structure Governs Anomalously Weak Thermal Optical Dephasing in Conjugated Polymers#974835arXiv (All)
• Electron Transfer, Diabatic Couplings and Vibronic Energy Gaps in a Phase Space Electronic Structure Framework#1070448arXiv (OAI Expanded)
• Polysaccharide-Based Coacervate Microgel Bearing Cationic Peptides That Achieve Dynamic Cell-Membrane Structure Alteration and Facile Cytosolic Infusion of IgGs#189758Kyoto University Research Information Repository