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20
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Theoretical Study of Hyperpolarizabilities in Crystalline m-Nitroaniline
Ultrafast Optical Kerr Effect and Solvation Dynamics of Liquid Aniline
Laser Flash Photolysis Study of Phenylcarbene and Pentafluorophenylcarbene
Molecular Clusters and Correlations in Liquid Ammonia
Quantum Control of NaI Photodissociation Reaction Product States by Ultrafast TailoredLight Pulses
Metastable States of Dimethylammonium, (CH3)2NH2•
Formation of HHgC2H5 in the Hg-Sensitized Photolysis of H2/C2H4 Mixtures
Theoretical Studies of Regioselectivity of myo-Inositol Derivatives: Importance of SolventDielectric Constants
Rate-Based Construction of Kinetic Models for Complex Systems
Role of Zero-Field Splitting Interactions in the NMR Paramagnetic RelaxationEnhancements Produced by Ni(II)(acac)2(H2O)2
Laser Multiphoton Dissociation Ionization of Acrolein Clusters
Cubic-Grid Gaussian Basis Sets for Electron-Scattering Calculations. 6. Applications toH2, H2O, and CH4
Kinetic Study of Free-Radical-Scavenging Action of Flavonoids in Homogeneous andAqueous Triton X-100 Micellar Solutions
Density Functional Study of 59Co Chemical Shielding Tensors Using Gauge-IncludingAtomic Orbitals
Hydrogen Bonding of Water to Phosphatidylcholine in the Membrane As Studied by aMolecular Dynamics Simulation: Location, Geometry, and Lipid−Lipid Bridging viaHydrogen-Bonded Water
Density Functional Study of the Radical Reactions of 3-Methyl-1-phenyl-2-pyrazolin-5-one(MCI-186): Implication for the Biological Function of MCI-186 as a Highly PotentAntioxidative Radical Scavenger
Prompt and Delayed Electron Ejection from Photoexcited Aqueous Bromo- andChlorocuprate(I) Complexes
Molecular Structure of the GeH2···OH2 Complex
Cation−π Interaction in Al(L)+ Complexes (L = C6H6, C5H5N, C5H6, C4H4NH, C4H4O)
Branching Fraction of the NH2 + NO Reaction between 1210 and 1370 K
Perturbation Study on the Reaction of C2 with N2 in High-Temperature C60/Ar + N2Mixtures
Least-Squares Method for Quantitative Determination of Chemical Exchange andCross-Relaxation Rate Constants from a Series of Two-Dimensional Exchange NMRSpectra
Improved Dual-Level Direct Dynamics Method for Reaction Rate Calculations withInclusion of Multidimensional Tunneling Effects and Validation for the Reaction of H withtrans-N2H2
Ultrafast Vibrational Relaxation and Ligand Photodissociation/Photoassociation Processes ofNickel(II) Porphyrins in the Condensed Phase
Conformational Information from Vibrational Spectra of Styrene, trans-Stilbene,and cis-Stilbene
Terahertz Studies of Collision-Broadened Rotational Lines
Kinetics of the Electroreduction and Electrooxidation of Tetrakis(dimethylamino)-p-benzoquinone in Polar Aprotic Solvents
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