×
Log in
Upload File
Most Popular
Art & Photos
Automotive
Business
Career
Design
Education
Hi-Tech
+ Browse for More
thanh-n documents
Documents
Theoretical Study of Modes of Adsorption of Water Dimer on H-ZSM-5 and H-Faujasite Zeolites
Documents
Kinetics of the Hydrogen Abstraction C 2 H 3• + Alkane → C 2 H 4 + Alkyl Radical Reaction Class
Documents
Kinetics of the Hydrogen Abstraction OH + Alkane → H 2 O + Alkyl Reaction Class: An Application of the Reaction Class Transition State Theory †
Documents
Adsorption of Nitrogen Monoxide and Carbon Monoxide on Copper-Exchanged ZSM-5: A Cluster and Embedded Cluster Study
Documents
Primary and Solvent Kinetic Isotope Effects in the Water-Assisted Tautomerization of Formamidine: An ab Initio Direct Dynamics Study
Documents
Mechanisms of Hydrogen Exchange of Methane with H-Zeolite Y: An ab Initio Embedded Cluster Study
Documents
Kinetics of 1,4-Hydrogen Migration in the Alkyl Radical Reaction Class
Documents
Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H 2 + Alkenyl Reaction Class
Documents
Theoretical Study on the Interaction between Xenon and Positively Charged Silver Clusters in Gas Phase and on the (001) Chabazite Surface
Documents
Direct ab initio dynamics studies of N+H[sub 2]↔NH+H reaction
Documents
Embedded density functional approach for calculations of adsorption on ionic crystals
Documents
Direct ab initio dynamics studies of vibrational-state selected reaction rate of the OH+H2→H+H2O reaction
Documents
Coupled reference interaction site model/simulation approach for thermochemistry of solvation: Theory and prospects
Documents
Correlation between the Madelung field and the reactivity of the MgO low-coordinated surface sites
Documents
An application of coupled reference interaction site model/molecular dynamics to the conformational analysis of the alanine dipeptide
Documents
A theoretical approach for modeling reactivity at solid–liquid interfaces
Documents
Direct ab initio dynamics studies of proton transfer in hydrogen-bond systems
Documents
An ab initio study of solvent shifts in vibrational spectra
< Prev