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Structural and spectroscopic study and intermolecular chalcogen bonding interactions in 1,3-dicarbonyl compounds

New journal of chemistry, 2024-08, Vol.48 (32), p.14420-14434

2024

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One-step preparation of novel 1-( N -indolyl)-1,3-butadienes by base-catalysed isomerization of alkynes as an access to 5-( N -indolyl)-naphthoquinones

RSC advances, 2018-01, Vol.8 (63), p.35998-36006

2018

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Synthesis, crystal structure and cytotoxicity assays of a copper(II) nitrate complex with a tridentate ONO acylhydrazone ligand. Spectroscopic and theoretical studies of the complex and its ligand

Inorganica Chimica Acta, 2019-03, Vol.487, p.31-40

2019

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Bidimensional Spectroelectrochemistry: application of a new device in the study of a o-vanillin-copper(II) complex

Electrochimica acta, 2017-08, Vol.245, p.79-87

2017

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Density functional study of the ionization potentials and electron affinities of small Nin clusters with n = 2-6 and 8

Computational materials science, 2004-11, Vol.31 (3-4), p.292-298

2004

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A Topological Study of the Transition States of the Hydrogen Exchange and Dehydrogenation Reactions of Ethane on a Zeolite Cluster

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2004-04, Vol.108 (13), p.2469-2474

2004

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Effect of the presence of tin on inhibition of CO adsorption on Ni4Sn bimetallic clusters

Computational materials science, 2012-12, Vol.65, p.494-503

2012

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A density functional study of small NixSn clusters with x = 1-4

Computational materials science, 2001, Vol.20 (1), p.57-65

2001

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Experimental and Theoretical Studies of Calcium Fructoborate

Biological trace element research, 2008-04, Vol.122 (1), p.64-72

2008

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Experimental and theoretical studies of the vibrational spectra of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane

Journal of Raman spectroscopy, 1999-06, Vol.30 (6), p.479-484

1999

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Low cost estimation of the contribution of post-CCSD excitations to the total atomization energy using density functional theory calculations

Chemical physics letters, 2016-04, Vol.649, p.68-72

2016

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Topological Study of the Effect of the Isomorphic Substitution of Silicon by Aluminum on the Zeolite Structure and Its Interaction with Methane

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-08, Vol.107 (32), p.6225-6230

2003

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Raman, pre-resonance Raman and electronic spectra of iron(II) saccharinate

Journal of Raman spectroscopy, 1992-01, Vol.23 (1), p.15-20

1992

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A Topological Study of the Transition States of the Hydrogen Exchange and Dehydrogenation Reactions of Methane on a Zeolite Cluster

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-07, Vol.105 (29), p.7079-7084

2001

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A density functional study of the ionisation potentials and electron affinities of small NixSn clusters with x = 1-4

Computational materials science, 2002-11, Vol.25 (3), p.363-370

2002

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Raman, pre-resonance Raman and electronic spectra of the anion [VO2Q2]− (Q = 8-hydroxyquinolinate)

Journal of Raman spectroscopy, 1992-05, Vol.23 (5), p.273-279

1992

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Using hydrogen atoms to terminate zeolite clusters: A semiempirical study

Computational materials science, 2000, Vol.17 (1), p.88-92

2000

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Experimental and theoretical study of the vibrational spectra of the 3,3,6,6,9,9-hexamethyl-1,4,7-cyclononatriperoxane molecule

Journal of Raman spectroscopy, 1999-01, Vol.30 (1), p.45-51

1999

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Density functional study of small Nin clusters, with n=2-6, 8, using the generalized gradient approximation

International journal of quantum chemistry, 2001, Vol.85 (1), p.22-33

2001

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Syntheses, crystal structure and ab initio calculations of two new phosphoric triamides

Journal of molecular structure, 2005-08, Vol.750 (1-3), p.64-71

2005

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Density functional study of the ionization potentials and electron affinities of small Ni n clusters with n=2–6 and 8

Computational materials science, 2004-11, Vol.31 (3), p.292-298

2004

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Raman, Pre-resonance Raman and electronic spectra of [VO(biuret)(SO4)] · 3H2O

Journal of Raman spectroscopy, 1993-09, Vol.24 (9), p.627-631

1993

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Density functional study of small Ni n clusters, with n =2–6, 8, using the generalized gradient approximation

International journal of quantum chemistry, 2001-10, Vol.85 (1), p.22-33

2001

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A density functional study of small nickel clusters

International journal of quantum chemistry, 1998, Vol.70 (4-5), p.693-701

1998

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A density functional study of the ionisation potentials and electron affinities of small Ni xSn clusters with x=1–4

Computational materials science, 2002, Vol.25 (3), p.363-370

2002

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Structural and spectroscopic study and intermolecular chalcogen bonding interactions in 1,3-dicarbonyl compounds

One-step preparation of novel 1-( N -indolyl)-1,3-butadienes by base-catalysed isomerization of alkynes as an access to 5-( N -indolyl)-naphthoquinones

Synthesis, crystal structure and cytotoxicity assays of a copper(II) nitrate complex with a tridentate ONO acylhydrazone ligand. Spectroscopic and theoretical studies of the complex and its ligand

Bidimensional Spectroelectrochemistry: application of a new device in the study of a o-vanillin-copper(II) complex

Density functional study of the ionization potentials and electron affinities of small Nin clusters with n = 2-6 and 8

A Topological Study of the Transition States of the Hydrogen Exchange and Dehydrogenation Reactions of Ethane on a Zeolite Cluster

Effect of the presence of tin on inhibition of CO adsorption on Ni4Sn bimetallic clusters

A density functional study of small NixSn clusters with x = 1-4

Experimental and Theoretical Studies of Calcium Fructoborate

Experimental and theoretical studies of the vibrational spectra of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane

Low cost estimation of the contribution of post-CCSD excitations to the total atomization energy using density functional theory calculations

Topological Study of the Effect of the Isomorphic Substitution of Silicon by Aluminum on the Zeolite Structure and Its Interaction with Methane

Raman, pre-resonance Raman and electronic spectra of iron(II) saccharinate

A Topological Study of the Transition States of the Hydrogen Exchange and Dehydrogenation Reactions of Methane on a Zeolite Cluster

A density functional study of the ionisation potentials and electron affinities of small NixSn clusters with x = 1-4

Raman, pre-resonance Raman and electronic spectra of the anion [VO2Q2]− (Q = 8-hydroxyquinolinate)

Using hydrogen atoms to terminate zeolite clusters: A semiempirical study

Experimental and theoretical study of the vibrational spectra of the 3,3,6,6,9,9-hexamethyl-1,4,7-cyclononatriperoxane molecule

Density functional study of small Nin clusters, with n=2-6, 8, using the generalized gradient approximation

Syntheses, crystal structure and ab initio calculations of two new phosphoric triamides

Density functional study of the ionization potentials and electron affinities of small Ni n clusters with n=2–6 and 8

Raman, Pre-resonance Raman and electronic spectra of [VO(biuret)(SO4)] · 3H2O

Density functional study of small Ni n clusters, with n =2–6, 8, using the generalized gradient approximation

A density functional study of small nickel clusters

A density functional study of the ionisation potentials and electron affinities of small Ni xSn clusters with x=1–4

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