The structure and spectroscopic properties of the metallophilic Pt/Pd complexes based on pyridine/pyrazol ligands: A computational investigation

Pd Complexes

Computational investigation of molecular structures, spectroscopic properties, cholinesterase inhibition and antibacterial activities of triazole Schiff bases endowed metal chelates

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130382 ◽

2021 ◽

Vol 1238 ◽

pp. 130382

Author(s):

Sajjad Hussain Sumrra ◽

Wardha Zafar ◽

Muhammad Luqman Asghar ◽

Fazila Mushtaq ◽

Muhammad Asam Raza ◽

...

Keyword(s):

Schiff Bases ◽

Antibacterial Activities ◽

Metal Chelates ◽

Molecular Structures ◽

Cholinesterase Inhibition ◽

A Detailed Computational Investigation on the Structural and Spectroscopic Properties of Some Pyran Compounds

10.9734/bpi/cacs/v4/12295d ◽

2021 ◽

pp. 93-101

Author(s):

K. Raja

Keyword(s):

A detailed computational investigation on the structural and spectroscopic properties of propolisbenzofuran B

Heliyon ◽

10.1016/j.heliyon.2019.e02518 ◽

2019 ◽

Vol 5 (10) ◽

pp. e02518 ◽

Cited By ~ 7

Author(s):

Morteza Rouhani

Keyword(s):

Computational Investigation on the Spectroscopic Properties of Thiophene Based Europium β-Diketonate Complexes

Journal of Chemical Theory and Computation ◽

10.1021/ct400865b ◽

2014 ◽

Vol 10 (2) ◽

pp. 767-777 ◽

Cited By ~ 14

Author(s):

Claudio Greco ◽

Giorgio Moro ◽

Luca Bertini ◽

Malgorzata Biczysko ◽

Vincenzo Barone ◽

...

Keyword(s):

Computational investigation of molecular structures, spectroscopic properties and antitumor-antibacterial activities of some Schiff bases

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.118829 ◽

2021 ◽

Vol 244 ◽

pp. 118829 ◽

Cited By ~ 1

Author(s):

Serpil Kaya ◽

Sultan Erkan ◽

Duran Karakaş

Keyword(s):

Schiff Bases ◽

Antibacterial Activities ◽

Molecular Structures ◽

Computational investigation of solvent effect on the structure, spectroscopic properties (13C, 1H NMR and IR, UV), NLO properties and HOMO–LUMO analysis of Ru(NHC)2Cl2(=CH-p-C6H5) complex

Physics and Chemistry of Liquids ◽

10.1080/00319104.2015.1109995 ◽

2016 ◽

Vol 55 (4) ◽

pp. 421-431 ◽

Cited By ~ 14

Author(s):

Reza Ghiasi ◽

Ali Peikari

Keyword(s):

Solvent Effect ◽

1H Nmr ◽

Nlo Properties ◽

Homo Lumo

Structure Revision of Plakotenin Based on Computational Investigation of Transition States and Spectroscopic Properties

Journal of the American Chemical Society ◽

10.1021/ja2087097 ◽

2012 ◽

Vol 134 (4) ◽

pp. 2154-2160 ◽

Cited By ~ 4

Author(s):

Angela Bihlmeier ◽

Emmanuel Bourcet ◽

Stephanie Arzt ◽

Thierry Muller ◽

Stefan Bräse ◽

...

Keyword(s):

Transition States ◽

Structure Revision

Joint Experimental and Computational Investigation of the Structural and Spectroscopic Properties of Poly(vinylidene fluoride) Polymorphs

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b00161 ◽

2015 ◽

Vol 119 (14) ◽

pp. 4888-4897 ◽

Cited By ~ 18

Author(s):

Alberto Milani ◽

Chiara Castiglioni ◽

Stefano Radice

Keyword(s):

Vinylidene Fluoride ◽

Poly Vinylidene Fluoride

Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c10834 ◽

2021 ◽

Vol 125 (7) ◽

pp. 1768-1777

Author(s):

Felipe Cardoso Ramos ◽

Lorenzo Cupellini ◽

Benedetta Mennucci

Keyword(s):

Computational Investigation on Substituent and Solvent Effects on the Electronic, Geometric and Spectroscopic Properties of Azobenzene and Some Substituted Derivatives

International Journal of Computational and Theoretical Chemistry ◽

10.11648/j.ijctc.20150306.12 ◽

2015 ◽

Vol 3 (6) ◽

pp. 50 ◽

Cited By ~ 5

Author(s):

Isaiah Ajibade Adejoro ◽

Oluwatoba Emmanuel Oyeneyin ◽

Babatunde Temitope Ogunyemi

Keyword(s):

Solvent Effects ◽