%0 Journal Article %T DFT and QSAR investigations of substituent effects in pyrazolooxazine derivatives Activity prediction %+ Université des Sciences et de la Technologie Houari Boumediene = University of Sciences and Technology Houari Boumediene [Alger] (USTHB) %+ Institut des Sciences Chimiques de Rennes (ISCR) %+ Université Mohamed Khider de Biskra (BISKRA) %A Haddadi, Zehira %A Meghezzi, Hacène %A Amar, Anissa %A Boucekkine, Abdou %A Bennamane, Norah %A Nedjar-Kolli, Bellara %A Belaidi, Salah %A Kerassa, Aicha %Z University of Sciences and Technology Houari Boumediene of the Ministry of Higher Education and Scientific Research, ALGERIA [CNEPRU E00220120042] %< avec comité de lecture %@ 0219-6336 %J Journal of Theoretical and Computational Chemistry %I World Scientific Publishing %V 18 %N 1 %P - %8 2019-02 %D 2019 %R 10.1142/S0219633619500019 %K electrostatic potential %K Pyrazolooxazine %K QSAR %K structure-activity relationship %K DFT %K NBO %Z Chemical SciencesJournal articles %G English %L hal-02086462 %U https://univ-rennes.hal.science/hal-02086462 %~ UNIV-RENNES1 %~ CNRS %~ INSA-RENNES %~ ENSC-RENNES %~ ISCR %~ ISCR-CTI %~ STATS-UR1 %~ UR1-SPM %~ INC-CNRS %~ UR1-UFR-SPM %~ UR1-HAL %~ UR1-SDLM %~ TEST-UR-CSS %~ UNIV-RENNES %~ INSA-GROUPE %~ TEST-HALCNRS %~ UR1-MMS %~ TEST2-HALCNRS