Related references
Note: Only part of the references are listed.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)
Fluorescence Quenching Investigation of Methyl Red Adsorption on Aluminum-Based Metal-Organic Frameworks
Jun-Kai Chen et al.
LANGMUIR (2018)
The microbial nitrogen-cycling network
Marcel M. M. Kuypers et al.
NATURE REVIEWS MICROBIOLOGY (2018)
Density functional theory study of geometric and electronic properties of full range of bimetallic AgnYm ( n + m=10) clusters
Riaz Hussain et al.
JOURNAL OF ALLOYS AND COMPOUNDS (2017)
Selective detection of cyanogen halides by BN nanocluster: a DFT study
E. Vessally et al.
JOURNAL OF MOLECULAR MODELING (2017)
Selective sensing of ozone and the chemically active gaseous species of the troposphere by using the C20 fullerene and graphene segment
Esmail Vessally et al.
TALANTA (2017)
A comparative DFT study on the interaction of cathinone drug with BN nanotubes, nanocages, and nanosheets
Kamellia Nejati et al.
APPLIED SURFACE SCIENCE (2017)
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)
Deciphering the Structural Evolution and Electronic Properties of Magnesium Clusters: An Aromatic Homonuclear Metal Mg17 Cluster
Xinxin Xia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Sensing properties of BN nanotube toward carcinogenic 4-chloroaniline: A computational study
Majid Eslami et al.
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2016)
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)
Sensing behavior of BN nanosheet toward nitrous oxide: A DFT study
Marjaneh Samadizadeh et al.
CHINESE CHEMICAL LETTERS (2015)
Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors
Nasser L. Hadipour et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
Tribochemical Decomposition of Light Ionic Hydrides at Room Temperature
Roman Nevshupa et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
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)
Processing and properties of magnesium containing a dense uniform dispersion of nanoparticles
Lian-Yi Chen et al.
NATURE (2015)
Atomistic simulation studies of the α/βglucoside and galactoside in anhydrous bilayers: effect of the anomeric and epimeric configurations
Sara Ahmadi et al.
JOURNAL OF MOLECULAR MODELING (2014)
Electrochemical detection of rutin on nitrogen-doped graphene modified carbon ionic liquid electrode
Wei Sun et al.
SENSORS AND ACTUATORS B-CHEMICAL (2014)
Effects of Al Doping and Double-Antisite Defect on the Adsorption of HCN on a BC2N Nanotube: Density Functional Theory Studies
Ali Ahmadi Peyghan et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
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)
DFT study of NO2 adsorption on the AlN nanocones
Zargham Bagheri et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)
Selective function of Al12N12 nano-cage towards NO and CO molecules
Javad Beheshtian et al.
COMPUTATIONAL MATERIALS SCIENCE (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Improved Parametrization of Li+, Na+, K+, and Mg2+ Ions for All-Atom Molecular Dynamics Simulations of Nucleic Acid Systems
Jejoong Yoo et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
Review on Recent Progress in Nitrogen-Doped Graphene: Synthesis, Characterization, and Its Potential Applications
Haibo Wang et al.
ACS CATALYSIS (2012)
Structure of Mgn and Mg n + clusters up to n=30
S. Janecek et al.
EUROPEAN PHYSICAL JOURNAL D (2011)
Growth and Structural Properties of MgN (N=10-56) Clusters: Density Functional Theory Study
Ideh Heidari et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Low-Dimensional Palladium Nanostructures for Fast and Reliable Hydrogen Gas Detection
Jin-Seo Noh et al.
SENSORS (2011)
Characterisation of aquatic humic and non-humic matter with size-exclusion chromatography - organic carbon detection - organic nitrogen detection (LC-OCD-OND)
Stefan A. Huber et al.
WATER RESEARCH (2011)
A Density Functional Investigation of Fluorinated B12N12 Clusters
Wang Hong
CHINESE JOURNAL OF CHEMISTRY (2010)
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)
Adsorption of Carbon Dioxide and Nitrogen on Single-Layer Aluminum Nitride Nanostructures Studied by Density Functional Theory
Yan Jiao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Exotic Supported CoPt Nanostructures: From Clusters to Wires
Giovanni Barcaro et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Tuning the Hydrogen Storage in Magnesium Alloys
Sueleyman Er et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
DFT study of hydrogen instability and magnetovolume effects in CeNi
Samir F. Matar
SOLID STATE SCIENCES (2010)
Ab initio calculations of Fe-Ni clusters
T. Nakazawa et al.
COMPUTATIONAL MATERIALS SCIENCE (2009)
cclib: A library for package-independent computational chemistry algorithms
Noel M. O'Boyle et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
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)
A density functional theory study of atomic oxygen and nitrogen adsorption over alpha-alumina (0001)
P. Gamallo et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
Evolution of the electronic and ionic structure of Mg clusters with increase in cluster size
A Lyalin et al.
PHYSICAL REVIEW A (2003)
Cavity-enhanced absorption: detection of nitrogen dioxide and iodine monoxide using a violet laser diode
VL Kasyutich et al.
APPLIED PHYSICS B-LASERS AND OPTICS (2003)
Magnesium clusters: Structural and electronic properties and the size-induced nonmetal-to-metal transition (vol 106A, pg 10924, 2002)
J Jellinek et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2003)
FT-IR study of water adsorption on aluminum oxide surfaces
HA Al-Abadleh et al.
LANGMUIR (2003)
Magnesium clusters: Structural and electronic properties and the size-induced nonmetal-to-metal transition
J Jellinek et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Metallic evolution of small magnesium clusters
J Akola et al.
EUROPEAN PHYSICAL JOURNAL D (2001)
Pressure dependence of the superconducting transition temperature of magnesium diboride
M Monteverde et al.
SCIENCE (2001)
Theoretical study on clusters of magnesium
A Kohn et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)