| 1965 - 1970 |
Conformational Preferences of N,N-Dimethylsuccinamate as a Function of Alkali and Alkaline Earth Metal Salts: Experimental Studies in DMSO and Water As Determined by H-1 NMR Spectroscopy
Lai HWH, Liu AT, Emenike BU, Carroll WR, Roberts JD |
| 1971 - 1988 |
Kinetics of CH4 and CO2 Hydrate Dissociation and Gas Bubble Evolution via MD Simulation
Uddin M, Coombe D |
| 1989 - 1996 |
Quantum Rate Coefficients and Kinetic Isotope Effect for the Reaction Cl + CH4 -> HCl + CH3 from Ring Polymer Molecular Dynamics
Li YL, Suleimanov YV, Green WH, Guo H |
| 1997 - 2006 |
Direct Kinetic Measurements of Reactions between the Simplest Criegee Intermediate CH2OO and Alkenes
Buras ZJ, Elsamra RMI, Jalan A, Middaugh JE, Green WH |
| 2007 - 2017 |
Parity-Dependent Rotational Energy Transfer in CN(A(2)Pi, nu=4, j F-1 epsilon) + N-2, O-2, and CO2 Collisions
McGurk SJ, Halpern JB, McKendrick KG, Costen ML |
| 2018 - 2028 |
Inhibitory Effect of Water on the Oxygen Reduction Catalyzed by Cobalt(II) Tetraphenylporphyrin
Trojanek A, Langmaier J, Kvapilova H, Zalis S, Samec Z |
| 2029 - 2039 |
Activation of Methane by FeO+: Determining Reaction Pathways through Temperature-Dependent Kinetics and Statistical Modeling
Ard SG, Melko JJ, Ushakov VG, Johnson R, Fournier JA, Shuman NS, Guo H, Troe J, Viggiano AA |
| 2040 - 2055 |
Rate Coefficients of the Cl + CH3C(O)OCH3 -> HCl + CH3C(O)OCH2 Reaction at Different Temperatures Calculated by Transition-State Theory with ab Initio and Density Functional Theory Reaction Paths
Chow R, Ng M, Mok DKW, Lee EPF, Dyke JM |
| 2056 - 2062 |
Fast Nonradiative Decay in o-Aminophenol
Capello MC, Broquier M, Ishiuchi SI, Sohn WY, Fujii M, Dedonder-Lardeux C, Jouvet C, Pino GA |
| 2063 - 2071 |
Vibrational Spectroscopy of Small Hydrated CuOH+ Clusters
Marsh BM, Zhou J, Garand E |
| 2072 - 2082 |
Carboxylic Group and Its Tetrazolyl Isostere in One Molecule. Matrix Isolation FTIR and DFT Studies on Thermal Decomposition and Photochemistry of (Tetrazol-5-yl)acetic Acid
Pagacz-Kostrzewa M, Krupa J, Wierzejewska M |
| 2083 - 2088 |
Deviations from Plane-Wave Mie Scattering and Precise Retrieval of Refractive Index for a Single Spherical Particle in an Optical Cavity
Mason BJ, Walker JS, Reid JP, Orr-Ewing AJ |
| 2089 - 2106 |
Quantum-Chemical Insight into Structure-Reactivity Relationship in 4,5,6,7-Tetrahalogeno-1H-benzimidazoles: A Combined X-ray, DSC, DFT/QTAIM, Hirshfeld Surface-Based, and Molecular Docking Approach
Latosinska JN, Latosinska M, Maurin JK, Orzeszko A, Kazimierczuk Z |
| 2107 - 2119 |
Properties of ThFx from Infrared Spectra in Solid Argon and Neon with Supporting Electronic Structure and Thermochemical Calculations
Thanthiriwatte KS, Wang XF, Andrews L, Dixon DA, Metzger J, Vent-Schmidt T, Riedel S |
| 2120 - 2137 |
Density Functional Theory Based Study on Cis-Trans Isomerism of the Amide Bond in Homodimers of beta(2,3)- and beta(3)-Substituted Homoproline
Kumar NVS, Singh H |
| 2138 - 2148 |
Optimal Composition of Atomic Orbital Basis Sets for Recovering Static Correlation Energies
Wallace AJ, Crittenden DL |
| 2149 - 2158 |
Understanding the Bonding Nature of Uranyl Ion and Functionalized Graphene: A Theoretical Study
Wu QY, Lan JH, Wang CZ, Xiao CL, Zhao YL, Wei YZ, Chai ZF, Shi WQ |
| 2159 - 2166 |
Dissociation of Gas-Phase Bimetallic Clusters as a Probe of Charge Densities: The Effective Charge of Uranyl
Lucena AF, Carretas JM, Marcalo J, Michelini MD, Rutkowski PX, Gibson JK |
