Found: 7
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Systematic dependence of transition-metal coordination energies on density-functional parametrizations.
- Published in:
- International Journal of Quantum Chemistry, 2015, v. 115, n. 2, p. 90, doi. 10.1002/qua.24800
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- Article
Inverse quantum chemistry: Concepts and strategies for rational compound design.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 13, p. 823, doi. 10.1002/qua.24687
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- Article
Gradient-driven molecule construction: An inverse approach applied to the design of small-molecule fixating catalysts.
- Published in:
- International Journal of Quantum Chemistry, 2014, v. 114, n. 13, p. 838, doi. 10.1002/qua.24686
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- Article
M OV IP AC: Vibrational spectroscopy with a robust meta-program for massively parallel standard and inverse calculations.
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- Journal of Computational Chemistry, 2012, v. 33, n. 27, p. 2186, doi. 10.1002/jcc.23036
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- Article
Ultra‐fast spectroscopy for high‐throughput and interactive quantum chemistry.
- Published in:
- International Journal of Quantum Chemistry, 2022, v. 122, n. 19, p. 1, doi. 10.1002/qua.26966
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- Article
Redox‐Active Chiroptical Switching in Mono‐ and Bis‐Iron Ethynylcarbo[6]helicenes Studied by Electronic and Vibrational Circular Dichroism and Resonance Raman Optical Activity.
- Published in:
- Chemistry - A European Journal, 2018, v. 24, n. 56, p. 15067, doi. 10.1002/chem.201803069
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- Article
Identifying Protein β-Turns with Vibrational Raman Optical Activity.
- Published in:
- ChemPhysChem, 2011, v. 12, n. 6, p. 1165, doi. 10.1002/cphc.201001061
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- Article