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Investigation of atomic multipoles from the quantum theory of atoms in molecules in the study of molecular properties

Grant number: 11/02807-3
Support type:Scholarships in Brazil - Master
Effective date (Start): August 01, 2011
Effective date (End): February 28, 2013
Field of knowledge:Physical Sciences and Mathematics - Chemistry
Principal Investigator:Roberto Luiz Andrade Haiduke
Grantee:Luiz Alberto Terrabuio
Home Institution: Instituto de Química de São Carlos (IQSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil

Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
SILVA, ARNALDO F.; RICHTER, WAGNER E.; TERRABUIO, LUIZ A.; HAIDUKE, ROBERTO L. A.; BRUNS, ROY E. Quantum theory of atoms in molecules/charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride. Journal of Chemical Physics, v. 140, n. 8 FEB 28 2014. Web of Science Citations: 7.
TERRABUIO, LUIZ A.; RICHTER, WAGNER E.; SILVA, ARNALDO F.; BRUNS, ROY E.; HAIDUKE, ROBERTO L. A. An atom in molecules study of infrared intensity enhancements in fundamental donor stretching bands in hydrogen bond formation. Physical Chemistry Chemical Physics, v. 16, n. 45, p. 24920-24928, 2014. Web of Science Citations: 7.
Academic Publications
(References retrieved automatically from State of São Paulo Research Institutions)
TERRABUIO, Luiz Alberto. Investigação dos multipolos atômicos da teoria quântica de átomos em moléculas no estudo de propriedades moleculares. 2013. Master's Dissertation - Universidade de São Paulo (USP). Instituto de Química de São Carlos São Carlos.

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