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List of works by Daniel Sethio

A theoretical study of the spectroscopic properties of B 2 H 6 and of a series of B xHyz−species ( x = 1−12, y = 3−14, z = 0−2): From BH 3 to B 12H122−

article

Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B 3 H 8 ) 2 , CB 9 H 10 − and CB 11 H 12 −

Correlating Boron-Hydrogen Stretching Frequencies with Boron-Hydrogen Bond Lengths in Closoboranes: An Approach Using DFT Calculations

scholarly article by Hans Hagemann et al published 22 January 2018 in Helvetica Chimica Acta

Formation of Bonded Exciplex in the Excited States of Dicyanoanthracene-Pyridine System: Time Dependent Density Functional Theory Study

From strong to weak NF bonds: on the design of a new class of fluorinating agents

article by Dani Setiawan et al published 7 October 2018 in Physical Chemistry Chemical Physics

Halogen Bond of Halonium Ions: Benchmarking DFT Methods for the Description of NMR Chemical Shifts

scientific article published on 02 November 2020

In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems

scientific article published on 28 February 2019

Isotope Exchange Reactions in Ca(BH4)2

Local vibrational mode analysis of ion-solvent and solvent-solvent interactions for hydrated Ca<sup>2+</sup> clusters

scientific article published on 01 December 2020

Modified Density Functional Dispersion Correction for Inorganic Layered MFX Compounds (M = Ca, Sr, Ba, Pb and X = Cl, Br, I)

scientific article published on 13 February 2020

Quantitative Assessment of Tetrel Bonding Utilizing Vibrational Spectroscopy

scientific article published on 25 October 2018

Theoretical Study of Halogenated B12H nX(12- n)2- (X = F, Cl, Br)

scientific article published on 26 February 2019

Theoretical study of B 12 H n F ( 12 − n ) 2 − species

article

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