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Excited-State Structural Dynamics of 5-Fluorouracil
Conformational Properties of a Phototautomerizable Nucleoside Biomarker for PhenolicCarcinogen Exposure
Configuration-Specific Kinetic Theory Applied to the Elastic Collisions of Hard SphericalMolecules
Control of Emission by Intermolecular Fluorescence Resonance Energy Transfer andIntermolecular Charge Transfer
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Theoretical Study on the Aromaticity of Transition States in Pericyclic Reactions
The B Σ+ and X 1Σ+ Electronic States of Hydrogen Fluoride: A Direct Potential FitAnalysis
A Pseudoatom Approach to Molecular Truncation: Application in ab Initio MBPTMethods
Formation of the 2,4-Pentadiynyl-1 Radical (H2CCCCCH, X2B1) in the Crossed BeamsReaction of Dicarbon Molecules with Methylacetylene
Model-Free Deconvolution of Femtosecond Kinetic Data
Icariin: A Special Antioxidant To Protect Linoleic Acid against Free-Radical-InducedPeroxidation in Micelles
Photodissociation of Formyl Fluoride in Rare Gas Matrixes
Reversible Valence Equilibrium Reactions in Main Group Compounds. A Theoretical Study
Simulation of Single Molecule Inelastic Electron Tunneling Signals inParaphenylene−Vinylene Oligomers and Distyrylbenzene[2.2]paracyclophanes
Preparation and Decomposition of C60H36
Structures of Tetrafluorocyclopropene, Hexafluorocyclobutene, Octafluorocyclopentene andRelated Perfluoroalkene Radical Anions Revealed by Electron Spin ResonanceSpectroscopic and Computational Studies
An Experimentalist's Reply to “What Is an Atom in a Molecule?”
Proton-Triggered Octopolar NLO Chromophores
Molecular and Electronic Structures, Brönsted Basicities, and Lewis Acidities of Group VIBTransition Metal Oxide Clusters
Hydrogen Peroxide Clusters: The Role of Open Book Motif in Cage and Helical Structures
Experimental and Theoretical Study of the Regiospecific Coordination of RuII and OsIIFragments on the Lacunary Polyoxometalate [α-PW11O39]7-
Charge Hopping in Organic Semiconductors: Influence of Molecular Parameters onMacroscopic Mobilities in Model One-Dimensional Stacks
Binary Clusters AuPt and Au6Pt: Structure and Reactivity within Density FunctionalTheory
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