Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu(111) surfaces

Hydrazine network on Cu(111) surface: A Density Functional Theory approach

(2015) Saeedeh S. Tafreshi et al.   SURFACE SCIENCE

Costless Derivation of Dispersion Coefficients for Metal Surfaces

(2014) Neyvis Almora-Barrios et al.   Journal of Chemical Theory and Computation

Density Functional Theory Study of the Adsorption of Hydrazine on the Perfect and Defective Copper (100), (110), and (111) Surfaces

(2014) Saeedeh S. Tafreshi et al.   Journal of Physical Chemistry C

Adsorption of methylamine on mackinawite (FES) surfaces: A density functional theory study

(2013) N. Y. Dzade et al.   JOURNAL OF CHEMICAL PHYSICS

A review on production, storage of hydrogen and its utilization as an energy resource

(2013) Suman Dutta   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

The Role of Hydrogen Bonding and Proton Transfer in the Formation of Uracil Networks on the Gold (100) Surface: A Density Functional Theory Approach

(2013) Simona Irrera et al.   Journal of Physical Chemistry C

Structural and electronic properties of a large-scale Moiré pattern of hexagonal boron nitride on Cu(111) studied with density functional theory

(2013) Ralph Koitz et al.   Nanoscale

Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study

(2013) Saeedeh S. Tafreshi et al.   SURFACE SCIENCE

Implementation of empirical dispersion corrections to density functional theory for periodic systems

(2012) Werner Reckien et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A density functional theory investigation of the molecular and dissociative adsorption of hydrazine on defective copper surfaces

(2012) Thomas D. Daff et al.   JOURNAL OF MATERIALS CHEMISTRY

Density functional theory investigations on the catalytic mechanisms of hydrazine decompositions on Ir(111)

(2011) Ping-Xia Zhang et al.   CATALYSIS TODAY

Dissociative Chemisorption of Hydrazine on an Fe{211} Surface

(2011) Hayley L. McKay et al.   Journal of Physical Chemistry C

Mechanistic Switch between Oxidative (Andrussow) and Nonoxidative (Degussa) Formation of HCN on Pt(111) by Density Functional Theory

(2011) Jaime Gómez-Díaz et al.   Journal of Physical Chemistry C

Density Functional Theory Calculations of the Interaction of Hydrazine with Low-Index Copper Surfaces

(2009) Thomas D. Daff et al.   Journal of Physical Chemistry C