Characteristics of nitrogen oxide emissions from combustion synthesis of a CuO oxygen carrier

Reactivity and lifetime assessment of an oxygen releasable manganese ore with biomass fuels in a 10 kWth pilot rig for chemical looping combustion

(2021) Daofeng Mei et al.   FUEL PROCESSING TECHNOLOGY

Shermo: A general code for calculating molecular thermochemistry properties

(2021) Tian Lu et al.   Computational and Theoretical Chemistry

State of Scale-Up Development in Chemical Looping Technology for Biomass Conversions: A Review and Perspectives

(2021) Dikai Xu et al.   Waste and Biomass Valorization

Theoretical study on the gas-phase reaction mechanism of ammonia with nitrous oxide

(2020) Yuyan Li et al.   JOURNAL OF MOLECULAR MODELING

Chemical looping combustion of coal in China: Comprehensive progress, remaining challenges, and potential opportunities

(2020) Haibo Zhao et al.   ENERGY & FUELS

Safety and environmental reasons for the use of Ni-, Co-, Cu-, Mn- and Fe-based oxygen carriers in CLC/CLOU applications: An overview

(2020) Kamil Idziak et al.   FUEL

Cu–Fe–Al–O mixed spinel oxides as oxygen carrier for chemical looping hydrogen generation

(2020) Dongxu Cui et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

The ORCA quantum chemistry program package

(2020) Frank Neese et al.   JOURNAL OF CHEMICAL PHYSICS

Redox performance of pyrite cinder in methane chemical looping combustion

(2020) Zhong Ma et al.   CHEMICAL ENGINEERING JOURNAL

A comparison of DLPNO-CCSD(T) and CCSD(T) method for the determination of the energetics of hydrogen atom transfer reactions

(2020) Subhasish Mallick et al.   Computational and Theoretical Chemistry

Virtual Special Issue of Recent Research Advances in China: Chemical Looping

(2020) Haibo Zhao et al.   ENERGY & FUELS

Multi-function of oxygen carrier for in-situ tar removal in chemical looping gasification: Naphthalene as a model compound

(2019) Jimin Zeng et al.   APPLIED ENERGY

The 4th Generation of CeSFaMB in numerical simulations for CuO-based oxygen carrier in CLC system

(2019) Anna Zylka et al.   FUEL

Importance of spinel reaction kinetics in packed-bed chemical looping combustion using a CuO/Al 2 O 3 oxygen carrier

(2018) M.A. San Pio et al.   CHEMICAL ENGINEERING JOURNAL

Detailed Kinetic Mechanism for the Oxidation of Ammonia Including the Formation and Reduction of Nitrogen Oxides

(2018) Krishna P. Shrestha et al.   ENERGY & FUELS

Automatic Generation of Auxiliary Basis Sets

(2017) Georgi L. Stoychev et al.   Journal of Chemical Theory and Computation

Efficient DLPNO–CCSD(T)-Based Estimation of Formation Enthalpies for C-, H-, O-, and N-Containing Closed-Shell Compounds Validated Against Critically Evaluated Experimental Data

(2017) Eugene Paulechka et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Ammonia oxidation at high pressure and intermediate temperatures

(2016) Yu Song et al.   FUEL

Self-assembly template combustion synthesis of a core–shell CuO@TiO 2 –Al 2 O 3 hierarchical structure as an oxygen carrier for the chemical-looping processes

(2015) Zuwei Xu et al.   COMBUSTION AND FLAME

Thermal analysis of ammonium nitrate and basic copper(II) nitrate mixtures

(2015) Kento Shiota et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Chemical looping combustion of high-sulfur coal with NiFe2O4-combined oxygen carrier

(2014) Baowen Wang et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

KiSThelP: A program to predict thermodynamic properties and rate constants from quantum chemistry results†

(2013) Sébastien Canneaux et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Characterization and evaluation of Fe2O3/Al2O3 oxygen carrier prepared by sol–gel combustion synthesis

(2011) Baowen Wang et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Progress in Chemical-Looping Combustion and Reforming technologies

(2011) Juan Adanez et al.   PROGRESS IN ENERGY AND COMBUSTION SCIENCE

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

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

Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries

(2010) I. M. Alecu et al.   Journal of Chemical Theory and Computation