:: Library Catalog

Image de couverture de livre

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Rafik, Amine, Salah, Abdeljabbar Jaddi Mohammed, Komiha, Najia, Carvajal, Miguel, Marakchi, Khadija
Format:	Preprint
Publié:	2024
Sujets:	Chemical Physics
Accès en ligne:	https://arxiv.org/abs/2407.11230
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Theoretical Exploration of the Diene-Transmissive Hetero-Diels-Alder Strategy Toward Boron-Functionalized Octahydroquinolines
par: Rafik, Amine, et autres
Publié: (2025)

Phenomenological characterization of the isomerization transition state of carbonyl sulfide
par: Rafik, Amine, et autres
Publié: (2025)

Simulation of a Diels-Alder Reaction on a Quantum Computer
par: Liepuoniute, Ieva, et autres
Publié: (2024)

Understanding the Reactivity and Selectivity of Oxazaborolidium Ion‐Catalyzed Diels‐Alder Reactions Involving Cyclobutenones as Dienophiles
par: Susana Portela, et autres
Publié: (2024)

Theoretical investigation of Diels–Alder reaction mechanism and regioselectivity with functionalized fullerene derivatives
par: Batoul Makiabadi, et autres
Publié: (2024)

The Rate of the Diels‐Alder Cycloaddition Reactions of Benz(a)Anthracene With Tetracyanoethylene and 4‐Phenyl‐1,2,4‐triazoline‐3,5‐dione in Solution and Solid State
par: Dmitry A. Kornilov, et autres
Publié: (2026)

Exo‐Selective Diels–Alder Reactions
par: Yuan‐He Li, et autres
Publié: (2024)

Partial Information Decomposition of Electronic Observables Along a Reaction Coordinate
par: Han, Kyunghoon, et autres
Publié: (2026)

Electronic Collective Variables for Chemical Reactions
par: Lei, YaoKun, et autres
Publié: (2026)

A Quantitative Insight of Substituent Effect in Terms of Reactivity and Nucleophilicity in Rapid Aqueous Iodinations of Monosubstituted Benzene Derivatives Employing Hydrodynamic Voltammetry
par: Snehal S. Latpate, et autres
Publié: (2025)

Effective soap removal from biodiesel using NiO ‐doped ZnO nanoparticle adsorbent
par: Hamdi Ali Mohammed, et autres
Publié: (2026)

Data Science Guiding Analysis of Organic Reaction Mechanism and Prediction
par: Giovanna Scalli Tâmega, et autres
Publié: (2024)

Performance of Automatic Active Space Selection for Electronic Excitation Energies
par: Shirazi, Reza G., et autres
Publié: (2025)

Effect of Halogen Substituents on Charge Transport Properties of n-type Organic Semiconductors: A Theoretical Study
par: Roosta, Sara, et autres
Publié: (2024)

Green Catalysts for High‐Temperature Reactions: Mechanistic Insights and Sustainable Advances in Hydrogenation, Cracking, and Reforming
par: Suryamol Nambyaruveettil, et autres
Publié: (2026)

Advances in Single‐Atom Catalysts for Acidic and Alkaline Oxygen Evolution Reactions: Mechanisms and Applications
par: Zhangshui Deng, et autres
Publié: (2025)

Quantum Statistical Mechanics of Electronically Open Molecules: Reduced Density Operators
par: Pedersen, Jacob, et autres
Publié: (2025)

Inverse‐Electron‐Demand Diels–Alder Reaction of Tropone with Graphene Supported on Cu(111)
par: Jia Tu, et autres
Publié: (2025)

Inverse‐Electron‐Demand Diels–Alder Reaction Involving Indole Scaffold and Its Derivatives
par: Harshit Shukla, et autres
Publié: (2025)

Recent Advances in the Electrochemical Functionalization of Indoles: Site‐Selective Strategies and Mechanistic Insights
par: Sifeng Li
Publié: (2025)

Ab Initio Characterization of C2H4N2 Isomers: Structures, electronic energies, spectroscopic parameters and formation pathways
par: Godwin, Oko Emmanuel, et autres
Publié: (2026)

Predicting Chemical Reaction Outcomes Based on Electron Movements Using Machine Learning
par: Chen, Shuan, et autres
Publié: (2025)

Gasification Reaction on CeO2(111) and Effects on the Structural and Electronic Properties of Adsorption Molecules
par: Nowilin James Rubinsin, et autres
Publié: (2024)

Understanding Reaction Mechanisms from Start to Finish
par: Breebaart, Rik S., et autres
Publié: (2025)

A Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure
par: Schmerwitz, Yorick L. A., et autres
Publié: (2024)

Accurate and Interpretable Representation of Correlated Electronic Structure via Tensor Product Selected CI
par: Braunscheidel, Nicole M., et autres
Publié: (2024)

Cyclic Voltammetry of Ion-Coupled Electron Transfer Reactions for Diagnosing Energy Storage Materials
par: Malaie, Keyvan
Publié: (2025)

Selective Excitation of IR-Inactive Modes via Vibrational Polaritons: Insights from Atomistic Simulations
par: Ji, Xinwei, et autres
Publié: (2025)

Reversible Nanocomposites With Carbon Nanotubes as the Diene in the Diels–Alder Reaction
par: Jie Guo, et autres
Publié: (2025)

Cover Picture: Substituent Position–Driven Modulation of Excited‐State Dynamics in Cyanoindole: Jet‐Cooled Spectroscopic and Theoretical Insights (BKCS 1/2026) by Ahreum Min, Hakseung Ryu, Jiwon Kim, Cheol Joo Moon, Myong Yong Choi
Publié: (2026)

Diel study reveals increased nighttime bacterial activity and its connection to organic compounds in the ocean.
par: Liu, Shuting, et autres
Publié: (2025)

Computing Solvation Shell Dynamics and Energetics in Electron Transfer Reactions via Molecular Dynamics Simulations
par: Wang, Zhenyu, et autres
Publié: (2025)

MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights
par: Hu, Jingjing, et autres
Publié: (2024)

Nuclear-Electronic Orbital Multireference Configuration Interaction for Ground and Excited Vibronic States and Fundamental Insights into Multicomponent Basis Sets
par: Malbon, Christopher L., et autres
Publié: (2025)

Recent Advances in Metal‐Based Catalysts for Nitrile Hydration to Amides: Mechanistic Aspects
par: Fatima‐Ezzahraa Essebbar, et autres
Publié: (2025)

Exploring the Electronic and Mechanical Properties of TPDH-Nanotube: Insights from Ab initio and Classical Molecular Dynamics Simulations
par: Quispe, Juan Gomez, et autres
Publié: (2024)

Anomalous Enhancement of the Electrocatalytic Hydrogen Evolution Reaction in AuPt Nanoclusters
par: Kang, Jiahui, et autres
Publié: (2024)

Photokinetics of Photothermal Reactions
par: Maafi, Mounir
Publié: (2025)

Discovering Reaction Mechanisms with Transition Path Sampling-Based Active Learning of Machine-Learned Potentials
par: Lal, Ashique, et autres
Publié: (2026)

ReactionMechanismSimulator.jl: A modern approach to chemical kinetic mechanism simulation and analysis
par: Matthew S. Johnson, et autres
Publié: (2024)