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Computational chemistry

Known as: Compchem, Computer Aided Chemistry, History of computational chemistry 
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical… 
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Papers overview

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Highly Cited
2011
Highly Cited
2011
As 1,4-benzoquinonas sao encontradas em toda a natureza, podendo ser sintetizadas por diversas estrategias. Esta revisao… 
Highly Cited
2010
Highly Cited
2010
First-principles modeling of systems with localized d states is currently a great challenge in condensedmatter physics. Density… 
Highly Cited
2008
Highly Cited
2008
The advent of systems biology requires the simulation of ever-larger biomolecular systems, demanding a commensurate growth in… 
Highly Cited
2006
Highly Cited
2006
Foreword. Preface. 1. CLASSICAL APPROACHES. Ionic Radii Concepts. Electrostatics. Pauling's Rules. Volume Increments. The Bond… 
Highly Cited
2004
Highly Cited
2004
The energy levels and observed spectral lines of the xenon atom, in all stages of ionization for which experimental data are… 
Highly Cited
2003
Highly Cited
2003
Highly Cited
2001
Highly Cited
2001
Nearly monodisperse (1.7 ± 0.2 nm) palladium nanoparticles were prepared within the interiors of three different generations of… 
Review
2000
Review
2000
The high-temperature kinetics of 1,3-butadiene oxidation was examined with detailed kinetic modeling. To facilitate model… 
Highly Cited
1996
Highly Cited
1996
The current interest in combinatorial chemistry for lead generation has necessitated the development of methods for design and… 
Review
1990
Review
1990
This up-to-date review of forefront approaches used in structure-based drug design and protein engineering is intended for…