4.5 Article

A computational study of N2 adsorption on aromatic metal Mg16M;(M=Be, Mg, and Ca) nanoclusters

Related references

Note: Only part of the references are listed.
Article Polymer Science

Interaction of α-Cyano-4-hydroxycinnamic Acid Drug with Inorganic BN Nanocluster: A Density Functional Study

A. Hosseinian et al.

JOURNAL OF INORGANIC AND ORGANOMETALLIC POLYMERS AND MATERIALS (2018)

Review Microbiology

The microbial nitrogen-cycling network

Marcel M. M. Kuypers et al.

NATURE REVIEWS MICROBIOLOGY (2018)

Article Biochemistry & Molecular Biology

Selective detection of cyanogen halides by BN nanocluster: a DFT study

E. Vessally et al.

JOURNAL OF MOLECULAR MODELING (2017)

Article Chemistry, Physical

A comparative DFT study on the interaction of cathinone drug with BN nanotubes, nanocages, and nanosheets

Kamellia Nejati et al.

APPLIED SURFACE SCIENCE (2017)

Article Chemistry, Physical

A DFT analysis of the adsorption of nitrogen oxides on Fe-doped graphene, and the electric field induced desorption

Diego Cortes-Arriagada et al.

APPLIED SURFACE SCIENCE (2017)

Article Nanoscience & Nanotechnology

Sensing properties of BN nanotube toward carcinogenic 4-chloroaniline: A computational study

Majid Eslami et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2016)

Article Chemistry, Multidisciplinary

Molecular dynamics simulation and quantum chemical studies on the investigation of aluminum nitride nanotube as phosgene gas sensor

Mahnaz Shahabi et al.

JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY (2016)

Article Chemistry, Multidisciplinary

Sensing behavior of BN nanosheet toward nitrous oxide: A DFT study

Marjaneh Samadizadeh et al.

CHINESE CHEMICAL LETTERS (2015)

Article Chemistry, Physical

Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors

Nasser L. Hadipour et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2015)

Article Chemistry, Physical

Tribochemical Decomposition of Light Ionic Hydrides at Room Temperature

Roman Nevshupa et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Article Chemistry, Multidisciplinary

The interaction between sugar-based surfactant with zigzag single-walled carbon nanotubes: insight from a computational study

Zahrabatoul Mosapour Kotena et al.

LIQUID CRYSTALS (2015)

Article Chemistry, Analytical

Electrochemical detection of rutin on nitrogen-doped graphene modified carbon ionic liquid electrode

Wei Sun et al.

SENSORS AND ACTUATORS B-CHEMICAL (2014)

Article Physics, Condensed Matter

A first-principles study on the adsorption behavior of amphetamine on pristine, P- and Al-doped B12N12 nano-cages

Aidin Bahrami et al.

SUPERLATTICES AND MICROSTRUCTURES (2013)

Article Chemistry, Physical

DFT study of NO2 adsorption on the AlN nanocones

Zargham Bagheri et al.

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)

Article Materials Science, Multidisciplinary

Selective function of Al12N12 nano-cage towards NO and CO molecules

Javad Beheshtian et al.

COMPUTATIONAL MATERIALS SCIENCE (2012)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Optics

Structure of Mgn and Mg n + clusters up to n=30

S. Janecek et al.

EUROPEAN PHYSICAL JOURNAL D (2011)

Article Chemistry, Physical

Growth and Structural Properties of MgN (N=10-56) Clusters: Density Functional Theory Study

Ideh Heidari et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Chemistry, Multidisciplinary

A Density Functional Investigation of Fluorinated B12N12 Clusters

Wang Hong

CHINESE JOURNAL OF CHEMISTRY (2010)

Article Chemistry, Physical

A density functional theory study of CO2 and N-2 adsorption on aluminium nitride single walled nanotubes

Yan Jiao et al.

JOURNAL OF MATERIALS CHEMISTRY (2010)

Article Chemistry, Physical

Exotic Supported CoPt Nanostructures: From Clusters to Wires

Giovanni Barcaro et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

Article Chemistry, Physical

Tuning the Hydrogen Storage in Magnesium Alloys

Sueleyman Er et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

Article Chemistry, Inorganic & Nuclear

DFT study of hydrogen instability and magnetovolume effects in CeNi

Samir F. Matar

SOLID STATE SCIENCES (2010)

Article Materials Science, Multidisciplinary

Ab initio calculations of Fe-Ni clusters

T. Nakazawa et al.

COMPUTATIONAL MATERIALS SCIENCE (2009)

Article Chemistry, Multidisciplinary

cclib: A library for package-independent computational chemistry algorithms

Noel M. O'Boyle et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)

Article Physics, Condensed Matter

Structures, binding energies and magnetic moments of small iron clusters: A study based on all-electron DFT

Qing-Min Ma et al.

SOLID STATE COMMUNICATIONS (2007)

Article Chemistry, Physical

A density functional theory study of atomic oxygen and nitrogen adsorption over alpha-alumina (0001)

P. Gamallo et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

T Yanai et al.

CHEMICAL PHYSICS LETTERS (2004)

Article Chemistry, Multidisciplinary

FT-IR study of water adsorption on aluminum oxide surfaces

HA Al-Abadleh et al.

LANGMUIR (2003)

Article Chemistry, Physical

Magnesium clusters: Structural and electronic properties and the size-induced nonmetal-to-metal transition

J Jellinek et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2002)

Article Optics

Metallic evolution of small magnesium clusters

J Akola et al.

EUROPEAN PHYSICAL JOURNAL D (2001)

Article Multidisciplinary Sciences

Pressure dependence of the superconducting transition temperature of magnesium diboride

M Monteverde et al.

SCIENCE (2001)

Article Chemistry, Physical

Theoretical study on clusters of magnesium

A Kohn et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)