Investigating magnetic properties of Co68Fe4B15Si13 amorphous alloy by molecular dynamics and DFT calculations

Comparison of the effects of sucrose molecules on alcohol dehydrogenase folding with those of sorbitol molecules on alcohol dehydrogenase folding using molecular dynamics simulation

(2015) Homayoon Bahrami et al.   Journal of the Iranian Chemical Society

Extension of the Universal Force Field to Metal–Organic Frameworks

(2014) Matthew A. Addicoat et al.   Journal of Chemical Theory and Computation

Modern soft magnets: Amorphous and nanocrystalline materials

(2013) Giselher Herzer   ACTA MATERIALIA

Structure and energetics of Li/Na, Li/K, and K/Na bimetallic hexamers

(2013) Afshan Mohajeri et al.   Journal of the Iranian Chemical Society

Molecular dynamics simulation of the diffusion of nanoconfined fluids

(2013) Nargess Mehdipour et al.   Journal of the Iranian Chemical Society

Enhancing GMI properties of melt-extracted Co-based amorphous wires by twin-zone Joule annealing

(2012) J.S. Liu et al.   JOURNAL OF ALLOYS AND COMPOUNDS

DFT, ab initio and FT-IR studies of the structure of sulfonamide triazenes

(2012) H. A. Dabbagh et al.   Journal of the Iranian Chemical Society

A brief review of structural concepts of novel supramolecular proton transfer compounds and their metal complexes (part II)

(2012) M. Mirzaei et al.   Journal of the Iranian Chemical Society

Origin of the diverse behavior of oxygen vacancies inABO3perovskites: A symmetry based analysis

(2012) Wan-Jian Yin et al.   PHYSICAL REVIEW B

Molecular dynamics simulation of oxide thin film growth: Importance of the inter-atomic interaction potential

(2010) Violeta Georgieva et al.   CHEMICAL PHYSICS LETTERS

ISAACS– interactive structure analysis of amorphous and crystalline systems

(2010) Sébastien Le Roux et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Sputter-deposited Mg–Al–O thin films: linking molecular dynamics simulations to experiments

(2009) V Georgieva et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Cobalt cationic sites in ferrierites: QM/MM modeling

(2008) Ewa Banach et al.   CATALYSIS TODAY

Structural ordering in CdxPb1−xF2 alloys: A combined molecular dynamics and solid state NMR study

(2008) Adalberto Picinin et al.   JOURNAL OF CHEMICAL PHYSICS

Giant magnetoimpedance materials: Fundamentals and applications

(2007) Manh-Huong Phan et al.   PROGRESS IN MATERIALS SCIENCE