This article reviews recent progress in the application of quantum chemistry to radical polymerization processes, with a principle focus on establishing the current 'best-practicé methodology for obtaining chemically accurate calculations. The scope an
The earliest applications of quantum chemical calculations were devoted to very small systems, which...
Propagation and transfer rate coefficients in free-radical polymerizations are calculated from first...
The development of synthetic methodologies can be aided and improved upon by a critical understandin...
Throughout the last 25 years, computational chemistry based on quantum mechanics has been applied to...
Free-radical polymerization of vinyl chloride is investigated computationally with special attentio...
This article highlights some of the recent contributions that computational quantum chemistry has ma...
In this chapter electronic structure computational approaches can be used to predict the kinetics of...
Modeling for Polymer Design is a series of article that demonstrates that polymer science is a field...
In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not only providin...
In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not only providin...
We describe a new rationale to kinetic modelling in which adjustable parameters are avoided through ...
We present the first ab initio simulation of a reversible addition fragmentation chain transfer (RAF...
We describe a new rationale to kinetic modelling in which adjustable parameters are avoided through ...
This thesis presents computational studies of problems in the organic and polymer chemistry. The sta...
We present the first ab initio simulation of a reversible addition fragmentation chain transfer (RAF...
The earliest applications of quantum chemical calculations were devoted to very small systems, which...
Propagation and transfer rate coefficients in free-radical polymerizations are calculated from first...
The development of synthetic methodologies can be aided and improved upon by a critical understandin...
Throughout the last 25 years, computational chemistry based on quantum mechanics has been applied to...
Free-radical polymerization of vinyl chloride is investigated computationally with special attentio...
This article highlights some of the recent contributions that computational quantum chemistry has ma...
In this chapter electronic structure computational approaches can be used to predict the kinetics of...
Modeling for Polymer Design is a series of article that demonstrates that polymer science is a field...
In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not only providin...
In recent decades, quantum chemical calculations (QCC) have increased in accuracy, not only providin...
We describe a new rationale to kinetic modelling in which adjustable parameters are avoided through ...
We present the first ab initio simulation of a reversible addition fragmentation chain transfer (RAF...
We describe a new rationale to kinetic modelling in which adjustable parameters are avoided through ...
This thesis presents computational studies of problems in the organic and polymer chemistry. The sta...
We present the first ab initio simulation of a reversible addition fragmentation chain transfer (RAF...
The earliest applications of quantum chemical calculations were devoted to very small systems, which...
Propagation and transfer rate coefficients in free-radical polymerizations are calculated from first...
The development of synthetic methodologies can be aided and improved upon by a critical understandin...
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