Introduction: The Role of the Electrostatic Potential in Chemistry

Author(s):  
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Donald G. Truhlar
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Sachiko Sato ◽  
Christian St-Pierre ◽  
Suzanne Sirois ◽  
René Roy

PLoS ONE ◽  
2014 ◽  
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pp. e87581 ◽  
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Davide Mercadante ◽  
Laurence D. Melton ◽  
Geoffrey B. Jameson ◽  
Martin A. K. Williams

2018 ◽  
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pp. 491-494 ◽  
Author(s):  
Huifeng Yao ◽  
Deping Qian ◽  
Hao Zhang ◽  
Yunpeng Qin ◽  
Bowei Xu ◽  
...  

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Vol 20 (1) ◽  
pp. 299-306 ◽  
Author(s):  
Robert Sedlak ◽  
Saltuk M. Eyrilmez ◽  
Pavel Hobza ◽  
Dana Nachtigallova

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.


Nanoscale ◽  
2020 ◽  
Vol 12 (4) ◽  
pp. 2732-2739
Author(s):  
Xiaofeng Tang ◽  
Shitong Zhang ◽  
Hong Zhou ◽  
Bo Zhou ◽  
Shengtang Liu ◽  
...  

With GQDs changed from non-polarized to highly polarized, the favorable location of GQDs in the simulation system translocated from the inner membrane region to the membrane–water interface.


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