Synthesis, crystal structure, antimicrobial screening and density functional theory calculation of nickel(II), cobalt(II) and zinc(II) mononuclear Schiff base complexes

2015 ◽  
Vol 425 ◽  
pp. 211-220 ◽  
Author(s):  
Sandeepta Saha ◽  
Ashok Sasmal ◽  
Chirantan Roy Choudhury ◽  
Guillaume Pilet ◽  
Antonio Bauzá ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Schiff Base ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Schiff Base Complexes ◽  
Functional Theory ◽  
Antimicrobial Screening ◽  
Theory Calculation

scholarly journals A pair of Schiff base enantiomers studied by absorption, fluorescence, electronic and vibrational circular dichroism spectroscopies and density functional theory calculation

RSC Advances ◽  
2015 ◽  
Vol 5 (46) ◽  
pp. 36813-36819 ◽  
Author(s):  
Hui-Hui Tang ◽  
Lu Zhang ◽  
Li-Li Zeng ◽  
Xue-Ming Fang ◽  
Li-Rong Lin ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Schiff Base ◽  
Circular Dichroism ◽  
Schiff Bases ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Vibrational Circular Dichroism ◽  
Functional Theory ◽  
Theory Calculation ◽  
Circular Dichroïsm

A pair of enantiomeric Schiff bases were synthesized and characterized, in particular their absolute configurations were determined by vibrational circular dichroism spectroscopy.

Ordered boron phosphorus codoped graphene realizing widely tunable quasi Dirac-cone gap

2021 ◽  
Vol 9 (12) ◽  
pp. 4316-4321
Author(s):  
L.-B. Meng ◽  
S. Ni ◽  
Z. M. Zhang ◽  
S. K. He ◽  
W. M. Zhou
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Dirac Cone ◽  
Functional Theory ◽  
Theory Calculation

Density functional theory calculation predicts a novel ordered boron phosphorus codoped graphene realizing a widely tunable Dirac-cone gap.

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