4.3 Article

A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

A comparative study of the CO oxidation reaction over pristine and C-doped boron nitride fullerene

Mehdi D. Esrafili et al.

RSC ADVANCES (2016)

Article Chemistry, Multidisciplinary

A DFT study on the N2O reduction by CO molecule over silicon carbide nanotubes and nanosheets

Parisa Nematollahi et al.

RSC ADVANCES (2016)

Article Chemistry, Physical

Structure and Energetics of Complexes of B12N12 with Hydrogen Halides-SAPT(DFT) and MP2 Study

Sirous Yourdkhani et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2015)

Article Chemistry, Multidisciplinary

A DFT study of 5-fluorouracil adsorption on the pure and doped BN nanotubes

Alireza Soltani et al.

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2015)

Article Chemistry, Multidisciplinary

Highly Water-Soluble, Porous, and Biocompatible Boron Nitrides for Anticancer Drug Delivery

Qunhong Weng et al.

ACS NANO (2014)

Article Chemistry, Physical

A DFT study on the possibility of using boron nitride nanotubes as a dehydrogenation catalyst for methanol

Mehdi D. Esrafili et al.

APPLIED SURFACE SCIENCE (2014)

Article Engineering, Environmental

Adsorption of pharmaceutical pollutants onto graphene nanoplatelets

Lateefa A. Al-Khateeb et al.

CHEMICAL ENGINEERING JOURNAL (2014)

Article Chemistry, Multidisciplinary

Interaction of vitamins A, B1, C, B3 and D with zigzag and armchair boron nitride nanotubes: A DFT study

Davood Farmanzadeh et al.

COMPTES RENDUS CHIMIE (2014)

Article Materials Science, Multidisciplinary

Potential of C-doped boron nitride fullerene as a catalyst for methanol dehydrogenation

Mehdi D. Esrafili et al.

COMPUTATIONAL MATERIALS SCIENCE (2014)

Article Chemistry, Analytical

Electrochemical Behavior of Graphene-Based Sensors on the Redox Mechanism of Aspirin

Shreekant M. Patil et al.

ELECTROANALYSIS (2014)

Article Physics, Condensed Matter

A computational study of adenine, uracil, and cytosine adsorption upon AlN and BN nano-cages

Mohammad T. Baei et al.

PHYSICA B-CONDENSED MATTER (2014)

Article Nanoscience & Nanotechnology

A first principles study of pristine and Al-doped boron nitride nanotubes interacting with platinum-based anticancer drugs

Ehsan Shakerzadeh et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2014)

Article Chemistry, Physical

Quantum study of boron nitride nanotubes functionalized with anticancer molecules

Eric Duverger et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Article Physics, Condensed Matter

A density functional theory study on the adsorption and decomposition of methanol on B12N12 fullerene-like nanocage

Mehdi D. Esrafili et al.

SUPERLATTICES AND MICROSTRUCTURES (2014)

Article Biochemistry & Molecular Biology

Ab initio study on the noncovalent adsorption of camptothecin anticancer drug onto graphene, defect modified graphene and graphene oxide

Nabanita Saikia et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2013)

Article Biochemistry & Molecular Biology

Arsenic interactions with a fullerene-like BN cage in the vacuum and aqueous phase

Javad Beheshtian et al.

JOURNAL OF MOLECULAR MODELING (2013)

Article Biochemistry & Molecular Biology

Armchair BN nanotubes-levothyroxine interactions: a molecular study

E. Chigo Anota et al.

JOURNAL OF MOLECULAR MODELING (2013)

Article Chemistry, Multidisciplinary

Transition metal atom adsorptions on a boron nitride nanocage

Mohammad T. Baei et al.

STRUCTURAL CHEMISTRY (2013)

Article Chemistry, Multidisciplinary

A DFT study on carbon-doping at different sites of (8,0) boron nitride nanotube

Mehdi D. Esrafili et al.

STRUCTURAL CHEMISTRY (2013)

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 Physics, Condensed Matter

Al-doped graphene-like BN nanosheet as a sensor for para-nitrophenol: DFT study

Ali Ahmadi Peyghan et al.

SUPERLATTICES AND MICROSTRUCTURES (2013)

Article Chemistry, Physical

Nitrogen-doped (6,0) carbon nanotubes: A comparative DFT study based on surface reactivity descriptors

Mehdi D. Esrafili

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Biochemistry & Molecular Biology

A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages

Javad Beheshtian et al.

JOURNAL OF MOLECULAR MODELING (2012)

Article Chemistry, Multidisciplinary

An all-purpose building block: B12N12 fullerene

J. L. Li et al.

NANOSCALE (2012)

Article Chemistry, Multidisciplinary

Interaction of small molecules (NO, H2, N2, and CH4) with BN nanocluster surface

Javad Beheshtian et al.

STRUCTURAL CHEMISTRY (2012)

Article Chemistry, Physical

Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces

Tanguy Van Regemorter et al.

THEORETICAL CHEMISTRY ACCOUNTS (2012)

Review Pharmacology & Pharmacy

Active Targeting Strategies for Anticancer Drug Nanocarriers

Livia Basile et al.

CURRENT DRUG DELIVERY (2012)

Article Engineering, Electrical & Electronic

Toxic CO detection by B12N12 nanocluster

Javad Beheshtian et al.

MICROELECTRONICS JOURNAL (2011)

Article Biochemical Research Methods

Tumor-Targeting, pH-Responsive, and Stable Unimolecular Micelles as Drug Nanocarriers for Targeted Cancer Therapy

Xiaoqiang Yang et al.

BIOCONJUGATE CHEMISTRY (2010)

Article Chemistry, Multidisciplinary

A Density Functional Investigation of Fluorinated B12N12 Clusters

Wang Hong

CHINESE JOURNAL OF CHEMISTRY (2010)

Article Chemistry, Physical

Continuous surface charge polarizable continuum models of solvation. I. General formalism

Giovanni Scalmani et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

The Al-doped BN nanotubes: A DFT study

Mahmoud Mirzaei et al.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2010)

Article Nanoscience & Nanotechnology

B36N36 fullerene-like nanocages: A novel material for drug delivery

M. D. Ganji et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2010)

Article Chemistry, Multidisciplinary

A computational study of water adsorption on boron nitride nanotube

Javad Beheshtian et al.

STRUCTURAL CHEMISTRY (2010)

Article Pharmacology & Pharmacy

Drug Nanocarriers and Functional Nanoparticles: Applications in Cancer Therapy

Benjamin Thierry

Current Drug Delivery (2009)

Review Oncology

Multi-functional nanocarriers to overcome tumor drug resistance

Lara S. Jabr-Milane et al.

CANCER TREATMENT REVIEWS (2008)

Review Chemistry, Multidisciplinary

A review of stimuli-responsive nanocarriers for drug and gene delivery

Srinivas Ganta et al.

JOURNAL OF CONTROLLED RELEASE (2008)

Review Nanoscience & Nanotechnology

Nanocarriers as an emerging platform for cancer therapy

Dan Peer et al.

NATURE NANOTECHNOLOGY (2007)

Review Materials Science, Multidisciplinary

Pure and doped boron nitride nanotubes

M. Terrones et al.

MATERIALS TODAY (2007)

Article Materials Science, Multidisciplinary

Boron nitride fullerene B36N36 doped with transition metal atoms:: First-principles calculations

Ronaldo J. C. Batista et al.

PHYSICAL REVIEW B (2007)

Review Chemistry, Multidisciplinary

Micellar nanocarriers: Pharmaceutical perspectives

V. P. Torchilin

PHARMACEUTICAL RESEARCH (2007)

Article Physics, Applied

Magnetism in BN nanotubes induced by carbon doping

RQ Wu et al.

APPLIED PHYSICS LETTERS (2005)

Article Chemistry, Physical

Effect of solvent upon CH•••O hydrogen bonds with implications for protein folding

S Scheiner et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Materials Science, Multidisciplinary

Formation and atomic structure of B12N12 nanocage clusters studied by mass spectrometry and cluster calculation

T Oku et al.

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS (2004)

Article Chemistry, Multidisciplinary

Hollow boron nitride (BN) nanocages and BN-nanocage-encapsulated nanocrystals

YC Zhu et al.

CHEMISTRY-A EUROPEAN JOURNAL (2004)

Article Chemistry, Multidisciplinary

Synthesis and characterization of faceted hexagonal aluminum nitride nanotubes

Q Wu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Materials Science, Multidisciplinary

Stability and electronic structure of AlN nanotubes

MW Zhao et al.

PHYSICAL REVIEW B (2003)

Review Chemistry, Multidisciplinary

Biodegradable polymeric nanoparticles as drug delivery devices

KS Soppimath et al.

JOURNAL OF CONTROLLED RELEASE (2001)