Can DFT and ab initio methods describe all aspects of the potential energy surface of cycloreversion reactions?
- Published in:
- Molecular Physics, 2016, v. 114, n. 1, p. 21, doi. 10.1080/00268976.2015.1081418
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- Publication type:
- Article
Works by Sarrami, Farzaneh
Results: 5
1
2
An assessment of theoretical procedures for π -conjugation stabilisation energies in enones.
- Published in:
- Molecular Physics, 2015, v. 113, n. 11, p. 1284, doi. 10.1080/00268976.2014.986238
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- Publication type:
- Article
3
A computational investigation of the sulphuric acid‐catalysed 1,4‐hydrogen transfer in higher Criegee intermediates.
- Published in:
- International Journal of Quantum Chemistry, 2018, v. 118, n. 14, p. 1, doi. 10.1002/qua.25599
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- Publication type:
- Article
4
Computational design of bio-inspired carnosine-based HOBr antioxidants.
- Published in:
- Journal of Computer-Aided Molecular Design, 2017, v. 31, n. 10, p. 905, doi. 10.1007/s10822-017-0060-3
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- Publication type:
- Article
5
Thermochemistry of icosahedral closo-dicarboranes: a composite ab initio quantum-chemical perspective.
- Published in:
- Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1082, doi. 10.1139/cjc-2016-0272
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- Publication type:
- Article