[图书][B] Comprehensive handbook of chemical bond energies
YR Luo - 2007 - taylorfrancis.com
Understanding the energy it takes to build or break chemical bonds is essential for scientists
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …
and engineers in a wide range of innovative fields, including catalysis, nanomaterials …
Modeling unimolecular reactions in photoelectron photoion coincidence experiments
A computer program has been developed to model and analyze the data from photoelectron
photoion coincidence (PEPICO) spectroscopy experiments. This code has been used during …
photoion coincidence (PEPICO) spectroscopy experiments. This code has been used during …
Pentadiynylidene and Its Methyl-Substituted Derivates: Threshold Photoelectron Spectroscopy of R1-C5-R2 Triplet Carbon Chains
E Reusch, D Kaiser, D Schleier… - The Journal of …, 2019 - ACS Publications
Mass-selective threshold photoelectron spectroscopy in the gas phase was employed to
characterize the dialkynyl triplet carbenes pentadiynylidene (HC5H) …
characterize the dialkynyl triplet carbenes pentadiynylidene (HC5H) …
Self-consistent heats of formation for the ethyl cation, ethyl bromide, and ethyl iodide from threshold photoelectron photoion coincidence spectroscopy
The dissociative photoionization onsets of Br and I loss reactions were measured for
C2H5Br and C2H5I, respectively, by threshold photoelectron photoion coincidence …
C2H5Br and C2H5I, respectively, by threshold photoelectron photoion coincidence …
Highly efficient CCl bond cleavage and unprecedented CC bond cleavage of environmentally toxic DDT through molecular electrochemical catalysis
X Liang, T Huang, M Li, J Mack, M Wildervanck… - Applied Catalysis A …, 2017 - Elsevier
The electrocatalytic properties of a Co (II) octaalkoxyphthalocyanine complex (Co (II) Pc)
with eight strongly electron-donating substituents provide the first example of the complete …
with eight strongly electron-donating substituents provide the first example of the complete …
A computational study of C X (X= H, C, F, Cl) bond dissociation enthalpies (BDEs) in polyhalogenated methanes and ethanes
J Shi, J He, HJ Wang - Journal of Physical Organic Chemistry, 2011 - Wiley Online Library
Bond dissociation enthalpies (BDEs) play a significant role in the photolysis of
Chlorofluorocarbons (CFCs) and hydrochlorofluorocarbons (HCFCs), which lead to the …
Chlorofluorocarbons (CFCs) and hydrochlorofluorocarbons (HCFCs), which lead to the …
Thermochemistry of halogen-containing organic compounds with influence on atmospheric chemistry
We report a study on the thermochemical properties of a wide variety of halogen-containing
organic compounds with relevance on several atmospheric chemical processes, such as …
organic compounds with relevance on several atmospheric chemical processes, such as …
Heats of Formation of HCCl3, HCCl2Br, HCClBr2, HCBr3, and Their Fragment Ions Studied by Threshold Photoelectron Photoion Coincidence
NS Shuman, LY Zhao, M Boles, T Baer… - The Journal of …, 2008 - ACS Publications
The dissociative photoionization onsets for Cl and Br loss reactions were measured for
HCCl3, HCCl2Br, HCClBr2, and HCBr3 by threshold photoelectron photoion coincidence …
HCCl3, HCCl2Br, HCClBr2, and HCBr3 by threshold photoelectron photoion coincidence …
Cations of halogenated methanes: Adiabatic ionization energies, potential energy surfaces, and ion fragment appearance energies
YL He, L Wang - Structural Chemistry, 2009 - Springer
Abstract The DFT-B3LYP and G3X model chemistry were used to predict the cation
structures and energetics of fluorinated, chlorinated, and brominated methanes. Ion …
structures and energetics of fluorinated, chlorinated, and brominated methanes. Ion …
A density functional and ab initio investigation of the p-aminobenzoic acid molecule
AF Lago, JZ Davalos, AN de Brito - Chemical physics letters, 2007 - Elsevier
The p-aminobenzoic acid (C7H7NO2) molecule has been investigated at different levels of
theory. DFT methods (B3LYP and PBE1PBE), second order Møller–Plesset perturbation …
theory. DFT methods (B3LYP and PBE1PBE), second order Møller–Plesset perturbation …