화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Are DFT Methods Able to Predict Reduction Potentials of Ruthenium Nitrosyl Complexes Accurately?
Coimbra DF, Cintra CH, Lourenco LCL, Parreira RLT, Orenha RP, Caramori GF
Journal of Physical Chemistry A, 124(30), 6186, 2020
2 Platinum-Triggered Bond-Cleavage of Pentynoyl Amide and N-Propargyl Handles for Drug-Activation
Oliveira BL, Stenton BJ, Unnikrishnan VB, de Almeida CR, Conde J, Negrao M, Schneider FSS, Cordeiro C, Ferreira MG, Caramori GF, Domingos JB, Fior R, Bernardes GJL
Journal of the American Chemical Society, 142(24), 10869, 2020
3 Shedding Light on the Hydrolysis Mechanism of cis, trans-[Ru(dmso)(4)Cl-2] Complexes and Their Interactions with DNA-A Computational Perspective
Andriani KF, Heinzelmann G, Caramori GF
Journal of Physical Chemistry B, 123(2), 457, 2019
4 Tuning Heterocalixarenes to Improve Their Anion Recognition: A Computational Approach
Ortolan AO, Ostrom I, Caramori GF, Parreira RLT, da Silva EH, Bickelhaupt FM
Journal of Physical Chemistry A, 122(12), 3328, 2018
5 Ureasil-Poly(ethylene oxide) Hybrid Matrix for Selective Adsorption and Separation of Dyes from Water
Molina EF, Parreira RLT, De Faria EH, de Carvalho HWP, Caramori GF, Coimbra DF, Nassar EJ, Ciuffi KJ
Langmuir, 30(13), 3857, 2014
6 The Nature of the Interactions between Pt-4 Cluster and the Adsorbates H-center dot, (OH)-O-center dot, and H2O
Parreira RLT, Caramori GF, Galembeck SE, Huguenin F
Journal of Physical Chemistry A, 112(46), 11731, 2008
7 A Computational Study of Tetrafluoro-[2.2]Cyclophanes
Caramori GF, Galembeck SE
Journal of Physical Chemistry A, 112(46), 11784, 2008
8 Computational study about through-bond and through-space interactions in [2.2]cyclophanes
Caramori GF, Galembeck SE
Journal of Physical Chemistry A, 111(9), 1705, 2007