Theoretical investigation of triple bond in molybdenum complexes trans-[X(PMe3)4MoE(Mes)] (X=F, Cl, Br, I; E=Si, Ge, Sn, Pb): A DFT study

Triple Bond ◽

Dft Study ◽

Molybdenum Complexes

Theoretical Investigation of The interaction Between Noble Metals (Ag, Au, Pd, Pt) and Stanene Nanosheets: A DFT Study

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-019-01151-x ◽

2019 ◽

Vol 29 (6) ◽

pp. 1895-1915 ◽

Cited By ~ 5

Author(s):

Amirali Abbasi

Keyword(s):

Noble Metals ◽

Theoretical investigation of the coordination of dibenzazepine to transition-metal complexes: A DFT study

Polyhedron ◽

10.1016/j.poly.2010.06.020 ◽

2010 ◽

Vol 29 (13) ◽

pp. 2722-2730 ◽

Cited By ~ 18

Author(s):

Sara Farah ◽

Saïda Ababsa ◽

Nora Benhamada ◽

Bachir Zouchoune

Keyword(s):

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

A DFT Study on the Stabilization of the B≡B Triple Bond in a Metallaborocycle: Contrasting Electronic Structures of Boron and Carbon Analogues

Chemistry - A European Journal ◽

10.1002/chem.201702422 ◽

2017 ◽

Vol 23 (41) ◽

pp. 9746-9751 ◽

Cited By ~ 10

Author(s):

Sagar Ghorai ◽

Eluvathingal D. Jemmis

Keyword(s):

Electronic Structures ◽

Triple Bond ◽

A theoretical investigation of the flurbiprofen methyl ester isomerization as the main step in the photopreparation of anti-inflammatory medicine (S)-flurbiprofen: A DFT study

Current Chemistry Letters ◽

10.5267/j.ccl.2020.02.002 ◽

2020 ◽

pp. 161-170 ◽

Cited By ~ 1

Author(s):

Saba Hadidi ◽

Mohammadsaleh Norouzibazaz ◽

Farshad Shiri

Keyword(s):

Methyl Ester ◽

Dft Study ◽

Main Step ◽

Anti Inflammatory

Theoretical investigation on the stability, structural evolution, and low-energy isomer identification of polyicosahedral Cu-Ag-Au nanoalloys: A DFT Study

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2021.113551 ◽

2021 ◽

pp. 113551

Author(s):

Hüseyin Yıldırım ◽

Haydar Arslan

Keyword(s):

Structural Evolution ◽

Low Energy ◽

Dft Study ◽

The Stability

A theoretical investigation on the selective extraction of Cu(II) from Ni(II) by 2-aminomethylpyridine derivatives: A DFT study

Polyhedron ◽

10.1016/j.poly.2018.10.009 ◽

2019 ◽

Vol 157 ◽

pp. 200-207 ◽

Cited By ~ 1

Author(s):

Xuejing Qiu ◽

Huiping Hu ◽

Jinpeng Yang ◽

Zeying Cheng ◽

GuangFu Ji

Keyword(s):

Selective Extraction ◽

Theoretical investigation of structures and energetics of sodium adatom and its dimer on graphene: DFT study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2015.06.014 ◽

2015 ◽

Vol 74 ◽

pp. 87-92 ◽

Cited By ~ 7

Author(s):

Gagandeep Kaur ◽

Shuchi Gupta ◽

Pooja Rani ◽

Keya Dharamvir

Keyword(s):

DFT study on the electronic structure, energetics and spectral properties of several bis(organohydrazido(2-)) molybdenum complexes containing substituted phosphines and chloro atoms as ancillary ligands

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2010.07.021 ◽

2010 ◽

Vol 957 (1-3) ◽

pp. 126-132 ◽

Cited By ~ 6

Author(s):

Ximena Zárate ◽

Eduardo Schott ◽

Desmond Mac-Leod Carey ◽

Carlos Bustos ◽

Ramiro Arratia-Pérez

Keyword(s):

Electronic Structure ◽

Spectral Properties ◽

Dft Study ◽

Molybdenum Complexes ◽

Ancillary Ligands

Theoretical Investigation on the Molecular Structure, Electronic, Spectroscopic Studies and Nonlinear Optical Properties of 5-bromo-1-(2-cyano-pyridin-4-yl)-1H-indazole-3-carboxylic acid diethylamide: a DFT and TD-DFT Study

Acta Physica Polonica A ◽

10.12693/aphyspola.136.378 ◽

2019 ◽

Vol 136 (3) ◽

pp. 378-394 ◽

Cited By ~ 1

Author(s):

A. Eşme

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Carboxylic Acid ◽

Nonlinear Optical ◽

Spectroscopic Studies ◽

Nonlinear Optical Properties ◽

Dft Study ◽

Td Dft

Theoretical investigation of adsorption effects Ciclopirox drug over CNT(6,6-6) nanotube as factor of drug delivery: a DFT study

Adsorption ◽

10.1007/s10450-019-00182-7 ◽

2019 ◽

Vol 26 (6) ◽

pp. 913-924

Author(s):

Siyamak Shahab ◽

Masoome Sheikhi ◽

Radwan Alnajjar ◽

Nagwa S. M. Kawafi ◽

Sadegh Kaviani ◽

...

Keyword(s):

Drug Delivery ◽

Dft Study ◽

Adsorption Effects