The UBI-QEP method: Basic formalism and applications to chemisorption phenomena on transition metal surfaces. Chemisorption energetics
EM Shustorovich, AV Zeigarnik - Russian Journal of Physical Chemistry, 2006 - Springer
The paper reviews the state of the art in the unity bond index-quadratic exponential potential
(UBI-QEP) method. Assumptions made in the framework of the method, as well as their …
(UBI-QEP) method. Assumptions made in the framework of the method, as well as their …
The UBI–QEP treatment of polyatomic molecules without bond-energy partitioning
E Shustorovich, AV Zeigarnik - Surface Science, 2003 - Elsevier
Bond-energy partitioning in polyatomic molecules is a mathematical construct realizing
intuitive chemical reasoning but having no physical justification. The bond order …
intuitive chemical reasoning but having no physical justification. The bond order …
Intrinsic activation barriers and coadsorption effects for reactions on metal surfaces: unified formalism within the UBI-QEP approach
H Sellers, E Shustorovich - Surface science, 2002 - Elsevier
We present a unified formulation of the unity bond index-quadratic exponential potential
method (UBI-QEP, formerly known as the BOC-MP method) of determining metal surface …
method (UBI-QEP, formerly known as the BOC-MP method) of determining metal surface …
The UBI-QEP method: Mechanistic and kinetic studies of heterogeneous catalytic reactions
AV Zeigarnik, E Shustorovich - Russian Journal of Physical Chemistry B, 2007 - Springer
Applications of the unity bond index-quadratic exponential potential (UBI-QEP) method in
mechanistic and kinetic studies of complex heterogeneous catalytic reactions are discussed …
mechanistic and kinetic studies of complex heterogeneous catalytic reactions are discussed …
The generalized UBI-QEP method for modeling the energetics of reactions on transition metal surfaces
H Sellers - Surface science, 2003 - Elsevier
The unity bond index––quadratic exponential potential (UBI-QEP) method is generalized to
include any number of bond indices in the UBI constraint. The energy and bond index …
include any number of bond indices in the UBI constraint. The energy and bond index …
Theory of dissociative adsorption kinetics of homonuclear diatomic molecules on solid surfaces
ED German, I Efremenko, AM Kuznetsov… - The Journal of …, 2002 - ACS Publications
Nonadiabatic theory of chemical reactions is applied to the kinetics of the dissociative
adsorption of homonuclear diatomic molecules on transition metal surfaces. Coordinates …
adsorption of homonuclear diatomic molecules on transition metal surfaces. Coordinates …
Electrocatalytic deiodination of methyl iodide on a copper electrode
G Huang, L Huang, L Dong - Research on Chemical Intermediates, 2019 - Springer
Methyl iodide (CH 3 I) was electrochemically degraded by using copper sheet as cathode
and graphite sheet as anode in a two-compartment cell. The effects of key parameters on the …
and graphite sheet as anode in a two-compartment cell. The effects of key parameters on the …
Thermal and photochemistry of tert-butyl iodide on ice films
Y Sohn, W Wei, JM White - Surface science, 2008 - Elsevier
The thermal and photochemistry of tert-butyl iodide (t-buI) on ice films grown on Cu (111) at
100K were studied using time-of-flight (TOF) temperature programmed desorption (TPD) …
100K were studied using time-of-flight (TOF) temperature programmed desorption (TPD) …
On the Energetics of nh3 Adsorption and Decomposition on nb(100) Surface : a ubi-qep Study
S Azizian, F Gobal - Reaction Kinetics and Catalysis Letters, 2002 - Springer
The energetics of the adsorption and decomposition of ammonia on Nb (100) surface was
investigated by the method of unity bond index-quadratic exponential potential (UBI-QEP) …
investigated by the method of unity bond index-quadratic exponential potential (UBI-QEP) …
Investigation of the Energetics of the Reactions of NH2 Species with Hydrogen and NO on the Pt(100) Surface by the Method of UBI-QEP
S Azizian, H Iloukhani - Surface Review and Letters, 2003 - World Scientific
The formation of NH 2, ads and its further reactions with hydrogen and NO on the Pt (100)
surface were previously studied by the methods of HREELS and TPR, in order to understand …
surface were previously studied by the methods of HREELS and TPR, in order to understand …