International Journal of Quantum Chemistry

Reviews in Quantum Chemistry

2013

• Adèle D. Laurent and Denis Jacquemin
  TD-DFT benchmarks: A review
  Int. J. Quantum Chem. 2013, DOI: 10.1002/qua.24438.

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• Alexander Nemukhin, Igor Topol, Jack Collins and Maria Khrenova
  Quantum chemistry in studies of fluorescent and photosensing proteins
  Int. J. Quantum Chem. 2013, DOI: 10.1002/qua.24419.

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• Munmun Khatua, Debdutta Chakraborty and Pratim Kumar Chattaraj
  Density dynamics in some quantum systems
  Int. J. Quantum Chem. 2013, DOI: 10.1002/qua.24402.

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• Andrei L. Tchougréeff, Andrei M. Tokmachev and Richard Dronskowski
  Resonance theory of catalytic action of transition-metal complexes: Isomerization of quadricyclane to norbornadiene catalyzed by metal porphyrins
  Int. J. Quantum Chem. 2013, DOI: 10.1002/qua.24386.

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• Boris F. Minaev, N. Arul Murugan and Hans Ågren
  Dioxygen spectra and bioactivation
  Int. J. Quantum Chem. 2013, DOI: 10.1002/qua.24390.

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• Péter G. Szalay
  Can coupled-cluster methods be used to describe excited states of the building blocks of DNA?
  Int. J. Quantum Chem. 2013, DOI: 10.1002/qua.24392.

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• Andrey V. Ilatovskiy, Ruben Abagyan and Irina Kufareva
  Quantum mechanics approaches to drug research in the era of structural chemogenomics
  Int. J. Quantum Chem. 2013, 113, 12, 1669-1675.
  DOI: 10.1002/qua.24400.

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• Steve Scheiner
  Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bonds
  Int. J. Quantum Chem. 2013, 113, 11, 1609-1620.
  DOI: 10.1002/qua.24357.

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• Samantha Jenkins
  Quantum topology phase diagrams for molecules, clusters, and solids
  Int. J. Quantum Chem. 2013, 113, 11, 1603-1608.
  DOI: 10.1002/qua.24398.

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• Qi-Long Yan and Svatopluk Zeman
  Theoretical evaluation of sensitivity and thermal stability for high explosives based on quantum chemistry methods: A brief review
  Int. J. Quantum Chem. 2013, 113, 8, 1049-1061.
  DOI: 10.1002/qua.24209.

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• Wenhua Zhang, Zhenyu Li, Bing Wang and Jinlong Yang
  Scanning tunneling microscopy and density functional theory combined studies of rutile TiO₂(1 1 0) surface chemistry: Watch surface processes at the atomic scale
  Int. J. Quantum Chem. 2013, 113, 2, 89-95.
  DOI: 10.1002/qua.24281.

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• Benjamin G. Janesko
  Rung 3.5 density functionals: another step on jacob's ladder
  Int. J. Quantum Chem. 2013, 113, 2, 83-88.
  DOI: 10.1002/qua.24256.

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• J. Grant Hill
  Gaussian basis sets for molecular applications
  Int. J. Quantum Chem. 2013, 113, 1, 21-34.
  DOI: 10.1002/qua.24355.

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• Moritz P. Haag and Markus Reiher
  Real-time quantum chemistry
  Int. J. Quantum Chem. 2013, 113, 1, 8-20.
  DOI: 10.1002/qua.24336.

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• Marcel Swart
  Spin states of (bio)inorganic systems: Successes and pitfalls
  Int. J. Quantum Chem. 2013, 113, 1, 2-7.
  DOI: 10.1002/qua.24255.

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2012

• Pere Alemany
  Analyzing the electronic structure of molecules using continuous symmetry measures
  Int. J. Quantum Chem. 2012, DOI: 10.1002/qua.24373.

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• Craig C. Martens
  Coherent quantum processes in thermal and nonequilibrium environments
  Int. J. Quantum Chem. 2012, DOI: 10.1002/qua.24129.

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