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Quantum chemistry composite methods

Known as: G2 theory, G3 theory 
Quantum chemistry composite methods (also referred to as thermochemical recipes) are computational chemistry methods that aim for high accuracy by… 
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Related topics

Related topics

14 relations
Ab initio quantum chemistry methodsAngela K. WilsonBasis set (chemistry)Computational chemistry

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Highly Cited
2016
Highly Cited
2016
Efficient sugar production from sugarcane bagasse by microwave assisted acid and alkali pretreatment
Highly Cited
2014
Highly Cited
2014
Aging Influence on Rheology Properties of Petroleum-Based Asphalt Modified with Biobinder
AbstractThis paper aims to investigate the viability of using swine waste binder to improve the rheological properties of… 
Review
2013
Review
2013
Physical and Chemical Features of Pretreated Biomass that Influence Macro-/Micro-accessibility and Biological Processing
Lignocellulosic biomass containing about 55–65 wt% sugars in the form of polymeric structural carbohydrates can be a sustainable… 
Review
2013
Review
2013
Effects of altered lignin biosynthesis on phenylpropanoid metabolism and plant stress
Modification of lignin in bioenergy feedstocks has become a common strategy to increase saccharification and biofuel yield. The… 
Highly Cited
2009
Highly Cited
2009
An economic and environmental comparison of a biochemical and a thermochemical lignocellulosic ethanol conversion processes
With the world’s focus on rapidly deploying second generation biofuels technologies, there exists today a good deal of interest… 
Highly Cited
2000
Highly Cited
2000
Lattice Energies and Unit Cell Volumes of Complex Ionic Solids
We develop a powerful new limiting relation between lattice potential energy, UPOT, and unit cell volume, V (hence, also, density… 
Highly Cited
1992
Highly Cited
1992
The performance of the Becke-Lee-Yang-Parr (B-LYP) density functional theory with various basis sets
Highly Cited
1991
Highly Cited
1991
Gaussian-2 theory for molecular energies of first- and second-row compounds
The Gaussian‐2 theoretical procedure (G2 theory), based on ab initio molecular orbital theory, for calculation of molecular… 
Highly Cited
1985
Highly Cited
1985
Fundamentals of thermochemical biomass conversion
The contents of this book are: Wood and biomass ultrastructure; Cellulose, hemicellulose and extractives; Lignin; Pretreatment of… 
Highly Cited
1978
Highly Cited
1978
Thermochemical pretreatment of nitrogenous materials to increase methane yield
Nonoxidative thermochemical pretreatment can lead to substantial increases in the mesophilic anaerobic biodegradability of waste… 
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