Cover Image

A Quantum Mechanical Analysis of the Electronic Response of BN Nanocluster to Formaldehyde

Fuente: Redalyc

Saved in:

Bibliographic Details
Main Author:	Vahid Vahabi
Format:	Artículo científico
Language:	en
Published:	Sociedad Química de México 2016
Subjects:	Multidisciplinaria (Ciencias Naturales y Exactas) Surfaces Nanostructures Electronic structure Ab initio calculations
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

von Neumann Entropies Analysis in Hilbert Space for the Dissociation Processes of Homonuclear and Heteronuclear Diatomic Molecules
by: Nelson Flores Gallegos
Published: (2008)

Theoretical Prediction of Structural, Elastic and Electronic Properties of M 5 Si 3 (M=Ti, Zr) Compounds
by: T. Chihi
Published: (2015)

Ab initio calculation of structural and electronic properties of AlxGa1-xN and InxGa1-xN alloys
by: E. López-Apreza
Published: (2010)

Electronic band structure of the CdTe C(2 × 2) reconstructed surface: ab initio study in terms of the slab size
by: D. Olgu´n
Published: (2007)

Ab Initio Calculation of the Dynamical Properties of PPP and PPV
by: H. W. Leite Alves
Published: (2006)

ELECTRON ANGULAR DISTRIBUTIONS IN DISSOCIATIVE PHOTOIONIZATION OF THE HYDROGEN MOLECULE
by: Jhon F. Pérez-Torres
Published: (2009)

Termólisis de ß-hidroxicetonas-ß-aril sustituidas. un estudio computacional
by: JAIRO QUIJANO
Published: (2006)

Estudio de la superficie diabática correspondiente a los estados excitados del dímero N2- He
by: M. Llanos
Published: (2006)

Geometria de equilíbrio da molécula de Azadiracthin através de métodos semiempíricos e Ab initio em comparação com os dados experimentais fornecidos pela difração de raios X
by: Daniel A. B. de Oliveira
Published: (2016)

Estudio ab initio de la capacidad antioxidante de una familia de alcaloides imidazólicos versus flavonoides
by: Elizabeth Torres Cruz
Published: (2017)

Simulación de adsorción en superficies a partir de cálculos ab initio sobre nano-clusters de átomos de oro
by: H. Franco
Published: (2012)

Análisis conformacional de sulfuros orgánicos que contienen el grupo difenílfosfinoilo mediante sus propiedades atómicas integradas.
by: Julio Cárdenas
Published: (2004)

A comparative ab initio Study of the Isomerizations and Hydrolyses of neutral and anionic M-Pyrophosphate Complexes, with M = Ca, Zn
by: William J. McCarthy
Published: (2002)

Structural and Electronic Properties of the SiC (100) Surfaces
by: J. S. Soares
Published: (2006)

Estudio computacional cuanto-mecánico de la interacción del hidrógeno molecular [H2] con el ZnO4(1,4-bencenodicarboxilato [MOF-5]
by: F. Javier Torres
Published: (2010)

Ab Initio Determination of the (100) Surfaces Phonon Dispersions of the SiC
by: J. S. Soares
Published: (2006)

First-principles study of the structural, electronic, and elastic properties of Sc2SiX (X=C, N)
by: M Mebrek
Published: (2021)

First-principles study of structural, electronic and elastic properties of Nb4AlC3
by: A. Bouhemadou
Published: (2010)

Structural, elastic, electronic, and magnetic properties of Ni2MnSb, Ni2MnSn, and Ni2MnSb0.5Sn0.5 magnetic shape memory alloys
by: O. Benguerine
Published: (2020)

Substituent and Solvent Effects on the Electronic and Structural Properties of Silacyclopropylidenoids
by: Cem Burak Yildiz
Published: (2015)

A Theoretical Study of Lithium-intercalated Pristine and Doped Carbon Nanocones
by: Ali Ahmadi Peyghan
Published: (2014)

Electronic opacities of Jupiter's and Saturn's interior from ab initio simulations
by: Preising, Martin, et al.
Published: (2026)

Ethane Internal Rotation -Vibrational Hamiltonian
by: David Ricardo Hidalgo Olguín
Published: (2008)

Estudio ab initio de la capacidad antioxidante de una familia de alcaloides imidazólicos versus flavonoides
by: Torres Cruz, Elizabeth
Published: (2017)

An Investigation of the Dispersion Forces in Weakly Bound Complexes Using Quantum Chemical and Multipole Expansion Methods
by: Wagner B. de Almeida
Published: (2005)

Why ferroelectricity? synchrotron radiation and ab initio answers
by: F. Espinosa
Published: (2007)

DFT Theoretical Calculation of the Site Selectivity of Dihydroxylated (5, 0) Zigzag Carbon Nanotube
by: Mostaanzadeh, H., et al.
Published: (2017)

Magnetic properties of Fe nanoclusters: ab initio calculations of FeN, N = 9, 15, 27, 51, and 59
by: G. López
Published: (2006)

Ab Initio Study and Hydrogen Bonding Calculations of Nitrogen and Carbon Chemical Shifts in Serine-Water Complexes
by: Majid Monajjemi
Published: (2005)

Spectroscopic Studies and DFT Calculations of Cimetidine Complexes with Transition Metal Ions
by: Daniela Olea-Román
Published: (2013)

Nanocolumnar CdS thin films grown by glancing angle deposition from a sublimate vapor effusion source
by: Luis Germán Daza
Published: (2017)

Nanocolumnar CdS thin films grown by glancing angle deposition from a sublimate vapor effusion source
by: L. G. Daza
Published: (2019)

Ascidian Larvae Discriminate Nano-Scale Difference in Surface Structures During Substrate Selection for Settlement.
by: Sakai, Daisuke, et al.
Published: (2024)

First-principles calculation of the band gap of AlxGa1¡-xN and InxGa1¡-xN
by: Roberto Núñez-González
Published: (2008)

Preprint of "BEST-CSP benchmark study of polymorphs I and II of sulfamerazine and the perils of polytype polymorphs"
by: Červinka, Ctirad, et al.
Published: (2025)

Adaptive evolution and early diversification of photonic nanomaterials in marine diatoms.
by: Ashworth, Matt P, et al.
Published: (2025)

Calculation of the lattice energy and the energy gap of the magnetic semiconductor MnGa2Se4 using Hartree-Fock and density functional theory methods
by: L. Romero
Published: (2016)

Assembly of Matryoshka-Type Protein Nanocages for Compartmentalized Oxygen Sensing.
by: Zhou, Wei, et al.
Published: (2025)

Wear resistance and hardness of nanostructured hardfacing coatings
by: Franklin Paz-Triviño
Published: (2020)

Síntesis de 2,8,14,20-tetra-n-butilpirogalol[4]areno y estudio computacional conformacional
by: Cesar H. Zambrano
Published: (2010)