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Reaction of Hydroxyl Radical with Acetone. 1. Kinetics of the Reactions of OH, OD, and18OH with Acetone and Acetone-d6
Reaction Mechanism of the Synthesis of Ammonia in the N2/H2/BeO and N2/H2/FeOSystems: A Theoretical Study
Mechanism of Pyrrolyl Oxidation in Star-Shaped Compounds
Vibrational Predissociation Spectroscopic and Ab Initio Theoretical Studies on ProtonatedEthylenediamine−(Water)3 Complex
Nuclear Magnetic Resonance Studies of the 1,4-Cyclohexanedione−Bromate−AcidOscillatory System
Ab Initio Quantum Chemical Investigation of the Spin States of Some Chain andMonocyclic Diradicals
Bound States of the Cl(2P)−HCl van der Waals Complex from Coupled ab Initio PotentialEnergy Surfaces
Ab Initio Predictions for Thermochemical Parameters for Tin−Oxygen Compounds
Philicity: A Unified Treatment of Chemical Reactivity and Selectivity
Structure and Intramolecular Charge-Transfer Dynamics of p-(Dimethylamino)benzonitrilein Solvent Clusters
Raman, Infrared, and Surface-Enhanced RamanSpectroscopy in Combination with ab Initio and DensityFunctional Theory Calculations on 10-Isopropyl-10H-phenothiazine-5-oxide
Finite Temperature Structure and Dynamics of Zinc Dialkyldithiophosphate WearInhibitors: A Density Functional Theory and ab Initio Molecular Dynamics Study
Reaction of Hydroxyl Radical with Acetone. 2. Products and Reaction Mechanism
A Theoretical Study on the Structure of Poly((R)-3-hydroxybutanoic acid)
Rotational Isomerization of Dithienylethenes: A Study on the Mechanism DeterminingQuantum Yield of Cyclization Reaction
Evaluation of Photodynamic Therapy Agents through Transient Grating Measurements
From ab Initio Calculations to Model Hamiltonians: The Effective Hamiltonian Techniqueas an Efficient Tool to Describe Mixed-Valence Molecules
Oxygen Atom Abstraction of Hydrogen Chemisorbed on a Silicon Surface
Collisions of HCl with Rare Gas and Molecular Colliders
Exploration of the Full Conformational Space of N-Acetyl-l-glutamine-N-methylamide. Anab Initio and Density Functional Theory Study
Reactivity of Small Cationic Platinum Clusters
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