Dichlorosilane adsorption on the Al, Ga, and Zn-doped fullerenes

On the Bounds of the Perimeter of an Ellipse

(2022) Tiehong Zhao et al.   ACTA MATHEMATICA SCIENTIA

Application of CaO2-enhanced peroxone process to adjust waste activated sludge characteristics for dewaterability amelioration: Molecular transformation of dissolved organic matters and realized mechanism of deep-dewatering

(2022) Dongdong Ge et al.   CHEMICAL ENGINEERING JOURNAL

Computational design of BC3N2 based single atom catalyst for dramatic activation of inert CO2 and CH4 gases into CH3COOH with ultralow CH4 dissociation barrier

(2022) Chenxu Zhao et al.   CHINESE CHEMICAL LETTERS

Cutting fluid corrosion inhibitors from inorganic to organic: Progress and applications

(2022) Haogang Li et al.   KOREAN JOURNAL OF CHEMICAL ENGINEERING

A theoretical study on sensing properties of in-doped ZnO nanosheet toward acetylene

(2022) Peilong Xu et al.   MOLECULAR PHYSICS

Theoretical study of MHD electro-osmotically flow of third-grade fluid in micro channel

(2022) Mubbashar Nazeer et al.   APPLIED MATHEMATICS AND COMPUTATION

Fiber-reinforced composites in milling and grinding: machining bottlenecks and advanced strategies

(2022) Teng Gao et al.   Frontiers of Mechanical Engineering

HCl-Tolerant HxPO4/RuOx–CeO2 Catalysts for Extremely Efficient Catalytic Elimination of Chlorinated VOCs

(2021) Qiguang Dai et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Effect of Mg content on electronic structure, optical and structural properties of amorphous ZnO nanoparticles: A DFTB study

(2021) Hasan Kurban et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Artificial neural networking (ANN) analysis for heat and entropy generation in flow of non‐Newtonian fluid between two rotating disks

(2021) Tie‐Hong Zhao et al.   MATHEMATICAL METHODS IN THE APPLIED SCIENCES

Exceptional High and Reversible Ammonia Uptake by Two Dimension Few-layer BiI3 Nanosheets

(2021) Huiyong Wang et al.   ACS Applied Materials & Interfaces

Inhibition of SARS-CoV-2 reproduction using Boswellia carterii: A theoretical study

(2021) Mustafa M. Kadhim et al.   JOURNAL OF MOLECULAR LIQUIDS

A first-principles evaluation on the interaction of 1,3,4-oxadiazole with pristine and B-, Al-, Ga-doped C60 fullerenes

(2021) İskender Muz et al.   JOURNAL OF MOLECULAR LIQUIDS

Theoritical evaluation of Citrus Aurantium leaf extract as green inhibitor for chemical and biological corrosion of mild steel in acidic solution: Statistical, molecular dynamics, docking, and quantum mechanics study

(2021) Anees A. Khadom et al.   JOURNAL OF MOLECULAR LIQUIDS

The transport of silica powders and lead ions under unsteady flow and variable injection concentrations

(2021) Bing Bai et al.   POWDER TECHNOLOGY

Quantum chemical study on the adsorption of megazol drug on the pristine BC3 nanosheet

(2021) Peilong Xu et al.   SUPRAMOLECULAR CHEMISTRY

Novel method for high-performance simultaneous removal of NO and SO2 by coupling yellow phosphorus emulsion with red mud

(2021) Yu Liu et al.   CHEMICAL ENGINEERING JOURNAL

Wavelet neural network modeling for the retention efficiency of sub-15 nm nanoparticles in ultrafiltration under small particle to pore diameter ratio

(2021) Zheng Fan et al.   JOURNAL OF MEMBRANE SCIENCE

A fast and stable sodium-based dual-ion battery achieved by Cu3P@P-doped carbon matrix anode

(2021) Xiaoming Zhang et al.   JOURNAL OF POWER SOURCES

Almost sectorial operators on Ψ‐Hilfer derivative fractional impulsive integro‐differential equations

(2021) Kulandhivel Karthikeyan et al.   MATHEMATICAL METHODS IN THE APPLIED SCIENCES

BF3 adsorption on pure, Al-doped, and Sc-doped graphene-like BC3: a DFT study

(2021) Jie Zhao et al.   MONATSHEFTE FUR CHEMIE

Inverse CO2/C2H2 separation in a pillared-layer framework featuring a chlorine-modified channel by quadrupole-moment sieving

(2021) Xiu-Yuan Li et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Combined impact of Cattaneo-Christov double diffusion and radiative heat flux on bio-convective flow of Maxwell liquid configured by a stretched nano-material surface

(2021) Yu-Ming Chu et al.   APPLIED MATHEMATICS AND COMPUTATION

Electronic Transfers and (NLO) Properties Predicted by AB Initio Methods with Prove Experimentally

(2020) Fatma A. Khazaal   NeuroQuantology

Evaluation of electronic transport and optical response of two-dimensional Fe-doped TiO2 thin films for photodetector applications

(2020) Fatih Kara et al.   OPTIK

In-situ synthesis of free-standing FeNi-oxyhydroxide nanosheets as a highly efficient electrocatalyst for water oxidation

(2020) Zhiqiang Wang et al.   CHEMICAL ENGINEERING JOURNAL

Different Pathways for Cr(III) Oxidation: Implications for Cr(VI) Reoccurrence in Reduced Chromite Ore Processing Residue

(2020) Weizhen Liu et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Sharp bounds for the Toader mean of order 3 in terms of arithmetic, quadratic and contraharmonic means

(2020) Hong-Hu Chu et al.   Mathematica Slovaca

Antimicrobial, computational, and molecular docking studies of Zn (II) and Pd (II) complexes derived from piperidine dithiocarbamate

(2020) Ahmed S.M. Al‐Janabi et al.   APPLIED ORGANOMETALLIC CHEMISTRY

On approximating the quasi-arithmetic mean

(2019) Tie-Hong Zhao et al.   JOURNAL OF INEQUALITIES AND APPLICATIONS

Enhancement of electronic, photophysical and optical properties of 5,5′-Dibromo-2,2′-bithiophene molecule: new aspect to molecular design

(2019) İ. Muz et al.   OPTO-ELECTRONICS REVIEW

Insight into the enhanced sludge dewaterability by tannic acid conditioning and pH regulation

(2019) Dongdong Ge et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Potentiodynamic polarization, surface analyses and computational studies of a 1,3,4-thiadiazole compound as a corrosion inhibitor for Iraqi kerosene tanks

(2019) Eva Adel Yaqo et al.   JOURNAL OF MOLECULAR STRUCTURE

Experimental assessment of an environmentally friendly grinding process using nanofluid minimum quantity lubrication with cryogenic air

(2018) Jianchao Zhang et al.   JOURNAL OF CLEANER PRODUCTION

Quadratic transformation inequalities for Gaussian hypergeometric function

(2018) Tie-Hong Zhao et al.   JOURNAL OF INEQUALITIES AND APPLICATIONS

Dispersing mechanism and tribological performance of vegetable oil-based CNT nanofluids with different surfactants

(2018) Teng Gao et al.   TRIBOLOGY INTERNATIONAL

Maximum undeformed equivalent chip thickness for ductile-brittle transition of zirconia ceramics under different lubrication conditions

(2017) Min Yang et al.   INTERNATIONAL JOURNAL OF MACHINE TOOLS & MANUFACTURE

Experimental evaluation of the lubrication performance of mixtures of castor oil with other vegetable oils in MQL grinding of nickel-based alloy

(2017) Shuming Guo et al.   JOURNAL OF CLEANER PRODUCTION

Grinding temperature and energy ratio coefficient in MQL grinding of high-temperature nickel-base alloy by using different vegetable oils as base oil

(2016) Benkai Li et al.   Chinese Journal of Aeronautics

A Novel Aluminum-Graphite Dual-Ion Battery

(2016) Xiaolong Zhang et al.   Advanced Energy Materials

Evaluation of Hybrid Theoretical Approaches for Structural Determination of a Glycine-Linked Cisplatin Derivative via Infrared Multiple Photon Dissociation (IRMPD) Action Spectroscopy

(2015) C. C. He et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Monotonicity properties of a function involving the psi function with applications

(2015) Tie-Hong Zhao et al.   JOURNAL OF INEQUALITIES AND APPLICATIONS

Convexity and concavity of the complete elliptic integrals with respect to Lehmer mean

(2015) Yu-Ming Chu et al.   JOURNAL OF INEQUALITIES AND APPLICATIONS

Optimal evaluation of a Toader-type mean by power mean

(2015) Ying-Qing Song et al.   JOURNAL OF INEQUALITIES AND APPLICATIONS

Sharp bounds for neuman-sándor mean in terms of the convex combination of quadratic and first Seiffert means

(2014) Yuming CHU et al.   ACTA MATHEMATICA SCIENTIA

Sharp bounds for the Neuman mean in terms of the quadratic and second Seiffert means

(2014) Yu-Ming Chu et al.   JOURNAL OF INEQUALITIES AND APPLICATIONS

Optimal bounds for Neuman-Sándor mean in terms of the convex combination of logarithmic and quadratic or contra-harmonic means

(2014) Yuming Chu et al.   Journal of Mathematical Inequalities

A note on the Neuman-Sándor mean

(2014) Hui Sun et al.   Journal of Mathematical Inequalities

New Gold Nanostructures for Sensor Applications: A Review

(2014) Yuanchao Zhang et al.   Materials

Adsorption and dissociation of Cl2 molecule on ZnO nanocluster

(2012) Javad Beheshtian et al.   APPLIED SURFACE SCIENCE

B-doping makes the carbon nanocones sensitive towards NO molecules

(2012) Mohammad T. Baei et al.   PHYSICS LETTERS A

Interaction between B-Doped C60Fullerene and Glycine Amino Acid from First-Principles Simulation

(2010) M. D Ganji et al.   CHINESE PHYSICS LETTERS

Drug delivery and nanoparticles: Applications and hazards

(2010) de Jong   International Journal of Nanomedicine

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Energy decomposition analysis of covalent bonds and intermolecular interactions

(2009) Peifeng Su et al.   JOURNAL OF CHEMICAL PHYSICS

New perspectives of gas sensor technology

(2009) Noboru Yamazoe et al.   SENSORS AND ACTUATORS B-CHEMICAL

B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals

(2007) Bartolomeo Civalleri et al.   CRYSTENGCOMM

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Alkali-Metal-Induced Enhancement of Hydrogen Adsorption in C60Fullerene:  Anab InitioStudy

(2007) K. R. S. Chandrakumar et al.   NANO LETTERS