Results 71 to 80 of about 82,211 (300)
NMIRacle: Multi-modal Generative Molecular Elucidation from IR and NMR Spectra
CoRRMolecular structure elucidation from spectroscopic data is a long-standing challenge in Chemistry, traditionally requiring expert interpretation. We introduce NMIRacle, a two-stage generative framework that builds upon recent paradigms in AI-driven spectroscopy with minimal assumptions.
Federico Ottomano +2 more
openaire +3 more sources
AUREMOL-QTA, a program package for NMR based automated recognition and characterization of local and global conformational changes in proteins induced by ligand binding as external perturbation [PDF]
, 2013 Among all existing techniques for protein structure determination, NMR spectroscopy has the advantage to provide the most complete characterization of molecular structures in solution.
Malloni, Wilhelm Massimiliano
core
, 2019 Figure S1. 1H NMR and 13C NMR (600 MHz) spectra of compounds 1-8; Figure S2. 1H NMR, 13C NMR, 1H-1H COSY, HSQC, HMBC, Roesy, Optical rotation, CD, UV, IR and HRESI spectra of compound ...
Chongxi Liu
core +1 more source
Advanced Science, EarlyView.Variations in polymer conformations of unsaturated poly(n‐alkyl esters) driven by monomer‐level stereochemistry directly govern Li+ solvation structures in polymer host matrices. The synergistic strategies of polymer conformation control, UV‐induced interchain crosslinking, and end‐group fluorination are implemented for engineering advanced solid ...
Hyun Jun Song +11 more
wiley +1 more source
Data on eleven sesquiterpenoids from the cultured mycelia of Ganoderma capense
Data in Brief, 2017 The data included in this paper are associated with the research article entitled “Sesquiterpenoids from the cultured mycelia of Ganoderma capense” [1]. 1H NMR, 13C NMR, DEPT, HSQC, 1H–1H COSY, HMBC, NOESY, HRESIMS, and IR spectra of Ganodermanol A–H (1 ...
Zhen Tan +6 more
doaj +1 more source
Solid-state NMR studies of absorption onto activated carbon [PDF]
, 1995 This is a study of adsorption on three activated carbon substrates using solid- state NMR. The adsorbates used as probe molecules included a range of phosphates, phosphonates and deuterated water.
Thompson, Timothy V.
core
, 2014 1Η-NMR spectra of the copolymer P(AA12-co-VBC) (A) and the quaternized copolymer P(AA12-co-VBCHAM) (B) and FT-IR spectra of the above copolymers (C).
Georgia Ch. Lainioti (630817) +7 more
core +1 more source
Bidirectional Disulfide Metathesis Enables Recycling of High‐Performance Thermoset Networks
Advanced Science, EarlyView.A cyclic aromatic disulfide comonomer enables dual‐mode recyclable pDCPD thermosets through bidirectional disulfide metathesis. The resulting networks combine enhanced mechanical performance with thermal reprocessability and chemical depolymerization into reusable oligomeric fragments, allowing regeneration of high‐performance thermosets with minimal ...
Bohan Li +8 more
wiley +1 more source
Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction
Advanced Science, EarlyView.Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen +5 more
wiley +1 more source
FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010 In this work, the vibrational spectral analysis was carried out by using FT-IR and FT-Raman spectroscopy in the range 400-4000 and 50-3500cm(-1) respectively, for the title molecule. The structural and spectroscopic data of the molecule in the ground state were calculated by using density functional method using 6-311++G(d,p) basis set. The vibrational
Rani, A. Usha +4 more
openaire +5 more sources