Active Thermochemical Tables: the thermophysical and thermochemical properties of methyl, CH3, and methylene, CH2, corrected for nonrigid rotor and anharmonic oscillator effects

Substitution Reactions in the Pyrolysis of Acetone Revealed through a Modeling, Experiment, Theory Paradigm

(2021) Daniel P. Zaleski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach

(2019) David F. Feller et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited

(2019) David H. Bross et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Variationally Computed IR Line List for the Methyl Radical CH3

(2019) Ahmad Y. Adam et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families

(2019) Bradley K. Welch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH4): determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH4 and CH4+

(2017) Yih-Chung Chang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

CODATA Recommended Values of the Fundamental Physical Constants: 2014

(2016) Peter J. Mohr et al.   JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA

Active Thermochemical Tables: Sequential Bond Dissociation Enthalpies of Methane, Ethane, and Methanol and the Related Thermochemistry

(2015) Branko Ruscic   JOURNAL OF PHYSICAL CHEMISTRY A

Active Thermochemical Tables: Water and Water Dimer

(2013) Branko Ruscic   JOURNAL OF PHYSICAL CHEMISTRY A

General Perturbative Approach for Spectroscopy, Thermodynamics, and Kinetics: Methodological Background and Benchmark Studies

(2012) Julien Bloino et al.   Journal of Chemical Theory and Computation

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CH2b̃1B1−ã1A1Band Origin at 1.20 μm

(2011) Chih-Hsuan Chang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Threshold Photoelectron Spectroscopy of the Methyl Radical Isotopomers, CH3, CH2D, CHD2and CD3: Synergy between VUV Synchrotron Radiation Experiments and Explicitly Correlated Coupled Cluster Calculations†

(2010) Bárbara K. Cunha de Miranda et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Basis Set Convergence of Nuclear Magnetic Shielding Constants Calculated by Density Functional Methods

(2008) Frank Jensen   Journal of Chemical Theory and Computation