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48
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Reactivity of Superoxide Radical Anion and Hydroperoxyl Radical with α-Phenyl-N-tert-butylnitrone (PBN) Derivatives
Microsolvation of Protonated Methane: Structures and Energetics of CH5+(H2)n
Ion Partitioning at the Liquid/Vapor Interface of a Multicomponent Alkali Halide Solution: A Model for Aqueous Sea Salt Aerosols
Density Functional Theory Study of CsCn− (n = 1−10) Clusters
Complexation of Lead(II) by Chlorogenic Acid: Experimental and Theoretical Study
Experimental and Theoretical Study of the Carbon-13 and Deuterium Kinetic Isotope Effects in the Cl and OH Reactions of CH3F
Resonant Vibrational Excitation and De-Excitation of CO(v) by Low Energy Electrons
Infrared Spectrum of the CH3−PtH Complex in Solid Argon Prepared in the Oxidative C−H Insertion of Methane by Laser-Ablated Pt Atoms
Synthesis, Molecular Structure, and EPR Analysis of the Three-Coordinate Ni(I) Complex [Ni(PPh3)3][BF4]
An Ab Initio Study of Substituent Effects on the Excited States of Purine Derivatives
Formation and Evolution of Metastable bcc Phase during Solidification of Liquid Ag: A Molecular Dynamics Simulation Study
Tautomerism of Uracil Probed via Infrared Spectroscopy of Singly Hydrated Protonated Uracil
Conical for Stepwise, Glancing for Concerted: The Role of the Excited-State Topology in the Three-Body Dissociation of sym-Triazine
Photodissociation of Noble Metal-Doped Carbon Clusters
Coordination Properties of Lysine Interacting with Co(I) and Co(II). A Theoretical and Mass Spectrometry Study
Structure and Electric Properties of SnN Clusters (N = 6−20) from Combined Electric Deflection Experiments and Quantum Theoretical Studies
First-Principles Study of Electronic and Magnetic Properties of ConMnm and ConVm (m + n ≤ 6) Clusters
One-Electron Metal−Metal Bond Stabilized in Dinuclear Metallocenes: Theoretical Prediction of DBe-LiCp (D = C5H5 or C5Me5)
On the Importance of Electron Correlation Effects for the Intramolecular Stacking Geometry of a Bis-Thiophene Derivative
Determination of the Dihedral Angle of the Monoanion of Succinic Acid in Aprotic Media
Multiple Transmission−Reflection Infrared Spectroscopy for High-Sensitivity Measurement of Molecular Monolayers on Silicon Surfaces
Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for the Prediction of Activation Barriers, Spectroscopic Constants in Diatomic Molecules, and Singlet−Triplet Gaps in Diradicals
Computational Study of the Reaction of CH2(X3B1) with CH3OH
Ab Initio Studies of Properties of Small Potassium Clusters
Time Evolution of the Activation Energy in a Batch Chemical Oscillator
Vibrationally Induced Proton Transfer in F−(H2O) and F−(D2O)
Vibronically Resolved Electronic Circular Dichroism Spectra of (R)-(+)-3-Methylcyclopentanone: A Theoretical Study
Ultraviolet Photolysis of HCHO: Absolute HCO Quantum Yields by Direct Detection of the HCO Radical Photoproduct
Reactions of Hydrated Electrons with Pyridinium Salts in Aqueous Solutions
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