scholarly journals Effect of an external electric field on the dissociation energy and the electron density properties: The case of the hydrogen bonded dimer HF⋯HF

2009 ◽  
Vol 130 (4) ◽  
pp. 044104 ◽  
Author(s):  
Ignasi Mata ◽  
Elies Molins ◽  
Ibon Alkorta ◽  
Enrique Espinosa
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Electron Density ◽  
Dissociation Energy ◽  
Hydrogen Bonded

NONLINEAR TRANSPORT IN HYDROGEN-BONDED CHAINS: SOLITONS UNDER EXTERNAL FIELDS AND DAMPING

1994 ◽  
Vol 08 (08) ◽  
pp. 1033-1064 ◽  
Author(s):  
YU.S. KIVSHAR ◽  
A.V. SAVIN ◽  
M.J. VELGAKIS ◽  
A.V. ZOLOTARYUK
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Small Amplitude ◽  
Nonlinear Transport ◽  
Dimensional Model ◽  
One Dimensional ◽  
Envelope Solitons ◽  
Oscillating Solutions ◽  
Two Parameter ◽  
Hydrogen Bonded

The longitudinal dynamics of protons in hydrogen-bonded chains is studied in the framework of a simple one-component one-dimensional model with a two-parameter doubly periodic symmetric on-site potential proposed by Zolotaryuk and Pnevmatikos (1990) under an external electric field and damping. The behavior of the ionic and bonding defects has been proved analytically and numerically to exhibit particle-like properties. Mobilities of the dc and ac driven defects have also been calculated with different methods. Small-amplitude oscillating solutions of breather and envelope solitons have been studied analytically and numerically.

Behavior of potential energy surface of C–X bonds in presence of solvent and external electric field: A DFT study

2016 ◽  
Vol 15 (06) ◽  
pp. 1650051 ◽  
Author(s):  
Himakshi Sharma ◽  
Bhabesh Chandra Deka ◽  
Pradip Kr. Bhattacharyya
Keyword(s):  
Potential Energy ◽  
Electric Field ◽  
Potential Energy Surface ◽  
External Electric Field ◽  
Bond Dissociation Energy ◽  
Dissociation Energy ◽  
Density Functional ◽  
Energy Surface ◽  
External Perturbation ◽  
Bond Dissociation

The effect of external perturbations, namely solvent and external electric field on potential energy surface (PES) and bond dissociation energy of C–X (X[Formula: see text]F, Cl, Br, N, O) bonds has been studied in the light of density functional theory (DFT). The study reveals that presence of solvent as well as external electric field changes the curvature of the PES significantly. Bond dissociation energy significantly drops in presence of both the external perturbation.

Time-resolved X-ray reciprocal space mapping of the crystal under external electric field

2018 ◽  
Vol 189 (02) ◽  
pp. 187-194 ◽  
Author(s):  
Nikita V. Marchenkov ◽  
Anton G. Kulikov ◽  
Ivan I. Atknin ◽  
Arsen A. Petrenko ◽  
Alexander E. Blagov ◽  
...  
Keyword(s):  
Electric Field ◽  
External Electric Field ◽  
Space Mapping ◽  
Reciprocal Space ◽  
Reciprocal Space Mapping ◽  
Time Resolved ◽  
X Ray
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