scholarly journals Relaxometric Investigation of Functional Group Placement on MnTPP Derivatives Supports the Role of the Molecular Electrostatic Potential Maps as a Tool to Design New Metalloporphyrins with Larger Relaxivities

2001 ◽  
Vol 2 (3) ◽  
pp. 140-147 ◽  
Author(s):  
L. Bryant ◽  
Gustavo Mercier
Keyword(s):  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Functional Group ◽  
Group Placement ◽  
Molecular Electrostatic Potential Maps

Critical Role of Molecular Electrostatic Potential on Charge Generation in Organic Solar Cells

2018 ◽  
Vol 36 (6) ◽  
pp. 491-494 ◽  
Author(s):  
Huifeng Yao ◽  
Deping Qian ◽  
Hao Zhang ◽  
Yunpeng Qin ◽  
Bowei Xu ◽  
...  
Keyword(s):  
Solar Cells ◽  
Electrostatic Potential ◽  
Organic Solar Cells ◽  
Molecular Electrostatic Potential ◽  
Critical Role ◽  
Charge Generation

The role of the σ-holes in stability of non-bonded chalcogenide⋯benzene interactions: the ground and excited states

2018 ◽  
Vol 20 (1) ◽  
pp. 299-306 ◽  
Author(s):  
Robert Sedlak ◽  
Saltuk M. Eyrilmez ◽  
Pavel Hobza ◽  
Dana Nachtigallova
Keyword(s):  
Excited States ◽  
Electrostatic Potential ◽  
Molecular Electrostatic Potential ◽  
Electronic Excitation

Different characters of molecular electrostatic potential (MEP) in the ground and excited states of chalcogenides are responsible for changes in conformer stability of T-shape and stacked non-bonded chalcogenide–benzene complexes upon electronic excitation.

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