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

• Grant number: 11/02807-3
• Support Opportunities: Scholarships in Brazil - Master
• Start date: August 01, 2011
• End date: February 28, 2013
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Roberto Luiz Andrade Haiduke
• Grantee: Luiz Alberto Terrabuio
• Host 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)

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. (11/02807-3, 10/18743-1)

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. (11/02807-3, 10/18743-1)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

TERRABUIO, Luiz Alberto. Investigation of atomic multipolos from quantum theory of atoms in molecules in study of molecular properties. 2013. Master's Dissertation - Universidade de São Paulo (USP). Instituto de Química de São Carlos (IQSC/BT) São Carlos.