Ficha miembro
Jesús Sánchez Márquez
Profesor Sustituto Interino
Simulación, Caracterización y Evolución de Materiales
Química Física
Profesor Sustituto Interino Simulación, Caracterización y Evolución de Materiales Química Física 
Ultimos articulos publicados
1.- SINGLE CRYSTAL STRUCTURE, THERMAL STABILITY AND THEORETICAL STUDIES OF ETHYL 4-(4-(DIMETHYLAMINO)PHENYL)-3,6-DIMETHYL-1-PHENYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE 2022 - Journal of Molecular Structure, Vol.1260, Issue -, pp -
Polo-Cuadrado, E.; Ferrer, K.; Forero-Doria, O.; Morales-Bayuelo, A.; Brito, I.; Cisterna, J.; Espinoza, L.; Sánchez-Márquez, J.; Gutiérrez, M.;
JCR Factor
3.196
JCR
Q3
Rank Cat.
83/162
Cat. JCR
CHEMISTRY, PHYSICAL
Percentile JCR
49.074
SJR Factor
0.471
CiteScore
Q2
Rank Cat.
21/69
Cat. ASJC
INORGANIC CHEMISTRY
CiteScore
4.6
SNIP
0.968
2.- EXPLORING THE MAXIMUM FUKUI FUNCTION SITES WITH THE FRONTIER-CONTROLLED SOFT-SOFT REACTIONS USING 1,3-DIPOLAR CYCLOADDITION REACTIONS OF NITRILIUM BETAINES 2022 - Journal of Molecular Modeling, Vol.28, Issue 5, pp 116
Morales-Bayuelo, A.; Sánchez-Márquez, J.;
JCR Factor
1.81
JCR
Q4
Rank Cat.
60/72
Cat. JCR
BIOPHYSICS
Percentile JCR
30.447
SJR Factor
0.363
CiteScore
Q2
Rank Cat.
59/133
Cat. ASJC
COMPUTATIONAL THEORY AND MATHEMATICS
CiteScore
2.5
SNIP
0.58
Articulos publicados durante el periodo 2017 - 2021.
1.- NEW INSIGHTS ABOUT ELECTRONIC MECHANISM OF ELECTROCYCLIC REACTIONS: THEORETICAL STUDY ABOUT STEREOSELECTIVITY IN CYCLOBUTENES 2021 - Heliyon, Vol.7, Issue 4, pp e06675(1)-e06675(21)
Morales-Bayuelo, A.; Sánchez-Márquez, J.;
JCR Factor
-
JCR
-
Rank Cat.
-/-
Cat. JCR
-
Percentile JCR
-
SJR Factor
0.455
CiteScore
Q1
Rank Cat.
27/110
Cat. ASJC
MULTIDISCIPLINARY
CiteScore
2.1
SNIP
1.079
2.- PROPERTY-ORIENTED BASIS SETS FOR COMPUTATION OF ATOMIZATION ENERGIES 2021 - Journal of Computational Chemistry, Vol.42, Issue 30, pp 2154–2162
García, V.; Zorrilla, D.; Fernández, M.; Sánchez-Márquez, J.;
JCR Factor
3.376
JCR
Q1
Rank Cat.
16/112
Cat. JCR
COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
Percentile JCR
86.161
SJR Factor
0.907
CiteScore
Q1
Rank Cat.
18/152
Cat. ASJC
COMPUTATIONAL MATHEMATICS
CiteScore
5.4
SNIP
0.965
DOI: 10.1002/jcc.26745
3.- NEW INSIGHTS ABOUT THE SERINE/THREONINE PROTEIN KINASE SUBSTRATES FROM MYCOBACTERIUM TUBERCULOSIS USING MOLECULAR DOCKING, QUANTUM SIMILARITY ANALYSIS AND DFT CALCULATIONS 2021 - F1000Research, Vol.10, Issue -, pp 1-25
Morales-Bayuelo, A.; Sánchez-Márquez, J.;
JCR Factor
-
JCR
-
Rank Cat.
-/-
Cat. JCR
-
Percentile JCR
-
SJR Factor
1.099
CiteScore
Q1
Rank Cat.
13/67
Cat. ASJC
PHARMACOLOGY, TOXICOLOGY AND PHARMACEUTICS (ALL)
CiteScore
4.4
SNIP
0.921
4.- SPATIALLY RESTRICTED DOUBLE Z-SIMPLIFIED BOX ORBITAL BASIS SETS: OPTIMIZATION AND COMPARISON WITH SOME STANDARD BASIS SETS 2020 - International Journal of Quantum Chemistry, Vol.120, Issue 6, pp e26129[1]-e26129[12]
García, V.; Sánchez-Márquez, J.; Torres, E.; Zorrilla, D.; Fernández, M.;
JCR Factor
2.444
JCR
Q2
Rank Cat.
41/108
Cat. JCR
MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
Percentile JCR
62.5
SJR Factor
0.484
CiteScore
Q2
Rank Cat.
177/411
Cat. ASJC
CONDENSED MATTER PHYSICS
CiteScore
3.4
SNIP
0.779
DOI: 10.1002/qua.26129
5.- SOFTWARE TO OBTAIN SPATIALLY LOCALIZED FUNCTIONS FROM DIFFERENT RADIAL FUNCTIONS 2020 - Journal of Computer-Aided Molecular Design, Vol.34, Issue 1, pp 267-280
Sánchez-Márquez, J.; García, V.; Zorrilla, D.; Fernández, M.;
JCR Factor
3.686
JCR
Q2
Rank Cat.
28/72
Cat. JCR
BIOPHYSICS
Percentile JCR
61.806
SJR Factor
0.749
CiteScore
Q1
Rank Cat.
165/693
Cat. ASJC
COMPUTER SCIENCE APPLICATIONS
CiteScore
5.3
SNIP
0.911
6.- DISCERNING THE THERMAL CYCLOTRIMERIZATIONS OF FLUORO- AND CHLOROACETYLENES THROUGH ELF, NBO DESCRIPTORS AND QTAIM ANALYSIS: PSEUDODIRADICAL CHARACTER 2020 - Heliyon, Vol.6, Issue 7, pp e04441[1]-e04441[13]
Morales-Bayuelo, A.; Sánchez-Márquez, J.;
JCR Factor
-
JCR
-
Rank Cat.
-/-
Cat. JCR
-
Percentile JCR
-
SJR Factor
0.455
CiteScore
Q1
Rank Cat.
27/110
Cat. ASJC
MULTIDISCIPLINARY
CiteScore
2.1
SNIP
1.079
7.- ON ELECTRONEGATIVITY, HARDNESS, AND REACTIVITY DESCRIPTORS: A NEW PROPERTY-ORIENTED BASIS SET 2020 - Journal of Physical Chemistry A, Vol.124, Issue 23, pp 4700-4711
Sánchez-Márquez, J.; García, V.; Zorrilla, D.; Fernández, M.;
JCR Factor
2.781
JCR
Q2
Rank Cat.
14/37
Cat. JCR
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Percentile JCR
63.514
SJR Factor
0.756
CiteScore
Q2
Rank Cat.
62/169
Cat. ASJC
PHYSICAL AND THEORETICAL CHEMISTRY
CiteScore
4.5
SNIP
0.904
8.- A CONCEPTUAL DFT ANALYSIS OF THE PLAUSIBLE MECHANISM OF SOME PERICYCLIC REACTIONS 2020 - Structural Chemistry, Vol.31, Issue 4:2020, pp 1745-1756
Morales-Bayuelo, A.; Sánchez-Márquez, J.; Jana, G.; Chattaraj, P.K.;
JCR Factor
1.887
JCR
Q1
Rank Cat.
4/29
Cat. JCR
MYCOLOGY
Percentile JCR
87.931
SJR Factor
0.35
CiteScore
Q2
Rank Cat.
199/411
Cat. ASJC
CONDENSED MATTER PHYSICS
CiteScore
3
SNIP
0.593
9.- BOND REACTIVITY INDICES APPROACH ANALYSIS OF THE [2+2] CYCLOADDITION OF JATROPHANE SKELETON DITERPENOIDS FROM EUPHORBIA GADITANA COSS TO TETRACYCLIC GADITANONE 2020 - Phytochemistry, Vol.180, Issue 12:2020, pp 112519[1]-112519[9]
Flores-Giubi, M.E.; Botubol-Ares, J.M.; Durán-Peña, M.J.; Escobar-Montaño, F.; Zorrilla, D.; Sánchez-Márquez, J.; Muñoz, E.; Macías-Sánchez, A.J.; Hernández-Galán, R.;
JCR Factor
4.072
JCR
Q1
Rank Cat.
44/235
Cat. JCR
PLANT SCIENCES
Percentile JCR
81.489
SJR Factor
0.82
CiteScore
Q1
Rank Cat.
4/86
Cat. ASJC
HORTICULTURE
CiteScore
5.5
SNIP
1.538
10.- CUO-CONTAINING OIL-BASED NANOFLUIDS FOR CONCENTRATING SOLAR POWER: AN EXPERIMENTAL AND COMPUTATIONAL INTEGRATED INSIGHT 2020 - Journal of Molecular Liquids, Vol.325, Issue 1, pp 114643
Torres, E.; Carrillo-Berdugo, I.; Zorrilla, D.; Sánchez-Márquez, J.; Navas, J.;
JCR Factor
6.165
JCR
Q1
Rank Cat.
4/37
Cat. JCR
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Percentile JCR
90.541
SJR Factor
0.929
CiteScore
Q1
Rank Cat.
31/411
Cat. ASJC
CONDENSED MATTER PHYSICS
CiteScore
8.4
SNIP
1.42
11.- SYNTHESIS OF PYRAZOLO-FUSED 4-AZAFLUORENONES IN AN IONIC LIQUID. MECHANISTIC INSIGHTS BY JOINT STUDIES USING DFT ANALYSIS AND MASS SPECTROMETRY
2019 - Catalysts, Vol.9
, Issue 10
, pp 820[1]-820[22]
Polo, E.; Arce-Parada, V.; López-Cortés, X.A.; Sánchez-Márquez, J.; Morales-Bayuelo, A.; Forero-Doria, O.; Gutiérrez, M.;
JCR Factor
3.52
JCR
Q2
Rank Cat.
65/159
Cat. JCR
CHEMISTRY, PHYSICAL
Percentile JCR
59.434
SJR Factor
0.722
CiteScore
Q2
Rank Cat.
73/162
Cat. ASJC
PHYSICAL AND THEORETICAL CHEMISTRY
CiteScore
3.7
SNIP
0.919
DOI: 10.3390/catal9100820
12.- CORRELATIONS BETWEEN FUKUI INDICES AND REACTIVITY DESCRIPTORS BASED ON SANDERSON'S PRINCIPLE
2019 - Journal of Physical Chemistry A, Vol.123
, Issue 40
, pp 8571-8582
Sánchez-Márquez, J.;
JCR Factor
2.6
JCR
Q2
Rank Cat.
15/37
Cat. JCR
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Percentile JCR
60.811
SJR Factor
0.749
CiteScore
Q2
Rank Cat.
52/162
Cat. ASJC
PHYSICAL AND THEORETICAL CHEMISTRY
CiteScore
4.5
SNIP
0.919
13.- NEW INSIGHTS IN CONCEPTUAL DFT: NEW MODEL FOR THE CALCULATION OF LOCAL REACTIVITY INDICES BASED ON THE SANDERSON'S PRINCIPLE 2019 - International Journal of Quantum Chemistry, Vol.119, Issue 7, pp 25844[1]-25844[13]
Sánchez-Márquez, J.; García, V.; Zorrilla, D.; Fernández, M.;
JCR Factor
1.747
JCR
Q2
Rank Cat.
45/106
Cat. JCR
MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
Percentile JCR
58.019
SJR Factor
0.484
CiteScore
Q2
Rank Cat.
156/403
Cat. ASJC
CONDENSED MATTER PHYSICS
CiteScore
3.4
SNIP
0.664
DOI: 10.1002/qua.25844
14.- INTERFACE-INSPIRED FORMULATION AND MOLECULAR-LEVEL PERSPECTIVES ON HEAT CONDUCTION AND ENERGY STORAGE OF NANOFLUIDS 2019 - Scientific Reports, Vol.9, Issue 1, pp 7595[1]-7595[13]
Carrillo-Berdugo, I.; Zorrilla, D.; Sánchez-Márquez, J.; Aguilar, T.; Gallardo, J.J.; Gómez-Villarejo, R.; Alcántara, R.; Fernández-Lorenzo, C.; Navas, J.;
JCR Factor
3.998
JCR
Q1
Rank Cat.
17/71
Cat. JCR
MULTIDISCIPLINARY SCIENCES
Percentile JCR
76.761
SJR Factor
1.341
CiteScore
Q1
Rank Cat.
8/111
Cat. ASJC
MULTIDISCIPLINARY
CiteScore
7.2
SNIP
1.365
15.- DEVELOPING AND USING A COMPUTER SIMULATION OF LIQUID-VAPOR TRANSITIONS TO IMPROVE STUDENTS' ASSIMILATION OF CONCEPTS RELATED TO THE BEHAVIOR OF REAL GASES 2019 - Journal of Chemical Education, Vol.96, Issue 8, pp 1646-1653
Zorrilla, D.; Sánchez-Márquez, J.; García, V.; Fernández, M.;
JCR Factor
1.385
JCR
Q3
Rank Cat.
25/41
Cat. JCR
EDUCATION, SCIENTIFIC DISCIPLINES
Percentile JCR
40.244
SJR Factor
0.473
CiteScore
Q1
Rank Cat.
150/1254
Cat. ASJC
EDUCATION
CiteScore
3.4
SNIP
1.374
16.- NEW ADVANCES IN CONCEPTUAL-DFT: AN ALTERNATIVE WAY TO CALCULATE THE FUKUI FUNCTION AND DUAL DESCRIPTOR 2019 - Journal of Molecular Modeling, Vol.25, Issue 5, pp 123[1]-123[7]
Sánchez-Márquez, J.;
JCR Factor
1.346
JCR
Q3
Rank Cat.
130/177
Cat. JCR
CHEMISTRY, MULTIDISCIPLINARY
Percentile JCR
26.836
SJR Factor
0.345
CiteScore
Q2
Rank Cat.
58/128
Cat. ASJC
COMPUTATIONAL THEORY AND MATHEMATICS
CiteScore
2.2
SNIP
0.522
17.- A SCREENING DFT STUDY OF THE PARA-SUBSTITUENT EFFECT ON LOCAL HYPER-SOFTNESS IN BIS(PHENOXY-IMINE) TITANIUM COMPLEXES TO GET INSIGHTS ABOUT THEIR CATALYTIC ACTIVITY IN ETHYLENE POLYMERIZATION 2019 - Molecular Catalysis, Vol.-, Issue -, pp 57-67
Nikitin, S.V.; Sánchez-Márquez, J.; Oleynik, I.I.; Oleynik, I.; Bagryanskaya, E.G.;
JCR Factor
3.687
JCR
Q2
Rank Cat.
62/159
Cat. JCR
CHEMISTRY, PHYSICAL
Percentile JCR
61.321
SJR Factor
0.906
CiteScore
Q1
Rank Cat.
22/162
Cat. ASJC
PHYSICAL AND THEORETICAL CHEMISTRY
CiteScore
7.5
SNIP
1.019
18.- ANALYZING TORQUOSELECTIVITY IN A SERIES OF UNUSUAL RING-OPENING REACTIONS THROUGH BOND REACTIVITY INDICES AND THE ADAPTIVE NATURAL DENSITY PARTITIONING METHOD 2018 - International Journal of Quantum Chemistry, Vol.118, Issue 23, pp 25778
Morales-Bayuelo, A.; Sánchez-Márquez, J.; Jana, G.; Chattaraj, P.K.;
JCR Factor
2.263
JCR
Q1
Rank Cat.
25/105
Cat. JCR
MATHEMATICS, INTERDISCIPLINARY APPLICATIONS
Percentile JCR
76.667
SJR Factor
0.848
CiteScore
Q1
Rank Cat.
90/398
Cat. ASJC
CONDENSED MATTER PHYSICS
CiteScore
4.6
SNIP
0.849
DOI: 10.1002/qua.25778
19.- INTRODUCING A NEW BOND REACTIVITY INDEX: PHILICITIES FOR NATURAL BOND ORBITALS 2018 - Journal of Molecular Modeling, Vol.24, Issue 1, pp 25[1]-25[16]
Sánchez-Márquez, J.; Zorrilla, D.; García, V.; Fernández, M.;
JCR Factor
1.335
JCR
Q3
Rank Cat.
122/172
Cat. JCR
CHEMISTRY, MULTIDISCIPLINARY
Percentile JCR
29.36
SJR Factor
0.37
CiteScore
Q2
Rank Cat.
54/122
Cat. ASJC
COMPUTATIONAL THEORY AND MATHEMATICS
CiteScore
2.2
SNIP
0.513
20.- SIMPLIFIED BOX ORBITALS FOR MOLECULES CONTAINING ATOMS BEYOND Ar 2018 - Molecular Physics, Vol.116, Issue 18, pp 2310-2320
García, V.; Zorrilla, D.; Sánchez-Márquez, J.; Fernández, M.;
JCR Factor
1.571
JCR
Q4
Rank Cat.
28/36
Cat. JCR
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Percentile JCR
23.611
SJR Factor
0.635
CiteScore
Q2
Rank Cat.
140/398
Cat. ASJC
CONDENSED MATTER PHYSICS
CiteScore
3.5
SNIP
0.703
21.- INTRODUCING A NEW METHODOLOGY FOR THE CALCULATION OF LOCAL PHILICITY AND MULTIPHILIC DESCRIPTOR: AN ALTERNATIVE TO THE FINITE DIFFERENCE APPROXIMATION 2018 - Molecular Physics, Vol.116, Issue 13, pp 1737-1748
Sánchez-Márquez, J.; Zorrilla, D.; García, V.; Fernández, M.;
JCR Factor
1.571
JCR
Q4
Rank Cat.
28/36
Cat. JCR
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Percentile JCR
23.611
SJR Factor
0.635
CiteScore
Q2
Rank Cat.
140/398
Cat. ASJC
CONDENSED MATTER PHYSICS
CiteScore
3.5
SNIP
0.703
22.- SOFTWARE TO OBTAIN ACCURATE GAUSSIAN EXPANSIONS FOR A WIDE RANGE OF RADIAL FUNCTIONS 2017 - Journal of Molecular Modeling, Vol.23, Issue 5, pp 165[1]-165[8]
García, V.; Zorrilla, D.; Sánchez-Márquez, J.; Fernández-Núñez, M.;
JCR Factor
1.507
JCR
Q3
Rank Cat.
105/171
Cat. JCR
CHEMISTRY, MULTIDISCIPLINARY
Percentile JCR
38.889
SJR Factor
0.36
CiteScore
Q2
Rank Cat.
45/110
Cat. ASJC
COMPUTATIONAL THEORY AND MATHEMATICS
CiteScore
2.3
SNIP
0.534
Proyectos activos durante el periodo 2017 - 2021.
No existen registros para el periodo citado.Contratos activos durante el periodo 2017 - 2021.
No existen registros para el periodo citado.Patentes registradas por el autor
No existen registros para el periodo citado.Software desarrollados
1.- UCA-SBO
Autores: SANCHEZ MARQUEZ, JESUS; ZORRILLA CUENCA, DAVID; FERNANDEZ NUÑEZ, MANUEL
Nº Expediente. CA-00352-2019 Fecha Solicitud: 2019-11-15
Rol: Responsable
Área: QUIMICA FISICA
Nº Expediente. CA-00352-2019 Fecha Solicitud: 2019-11-15
Rol: Responsable
Área: QUIMICA FISICA
2.- CUBE_FITTING
Autores: SÁNCHEZ MÁRQUEZ, JESÚS
Nº Expediente. CA-00066-2015 Fecha Solicitud: 2015-02-26
Rol: Responsable
Área: QUÍMICA FÍSICA
Nº Expediente. CA-00066-2015 Fecha Solicitud: 2015-02-26
Rol: Responsable
Área: QUÍMICA FÍSICA
3.- NBORIC
Autores: SÁNCHEZ MÁRQUEZ, JESÚS
Nº Expediente. CA-00067-2015 Fecha Solicitud: 2015-02-26
Rol: Responsable
Área: QUÍMICA FÍSICA
Nº Expediente. CA-00067-2015 Fecha Solicitud: 2015-02-26
Rol: Responsable
Área: QUÍMICA FÍSICA
4.- ORB_FITTING
Autores: SÁNCHEZ MÁRQUEZ, JESÚS
Nº Expediente. CA-00068-2015 Fecha Solicitud: 2015-02-26
Rol: Responsable
Área: QUIMICA FISICA
Nº Expediente. CA-00068-2015 Fecha Solicitud: 2015-02-26
Rol: Responsable
Área: QUIMICA FISICA
5.- UCA-FSR
Autores: GIL MONTERO, MARÍA LUISA ALMORÁIMA; SÁNCHEZ MÁRQUEZ, JESÚS
Nº Expediente. CA-00219-2014 Fecha Solicitud: 2014-05-20
Rol: Responsable
Área: QUÍMICA FÍSICA
Nº Expediente. CA-00219-2014 Fecha Solicitud: 2014-05-20
Rol: Responsable
Área: QUÍMICA FÍSICA
6.- UCA-CPE
Autores: SÁNCHEZ MÁRQUEZ, JESÚS
Nº Expediente. CA-00220-2014 Fecha Solicitud: 2014-05-20
Rol: Responsable
Área: QUÍMICA FÍSICA
Nº Expediente. CA-00220-2014 Fecha Solicitud: 2014-05-20
Rol: Responsable
Área: QUÍMICA FÍSICA
7.- UCA-GSS
Autores: FERNÁNDEZ NÚÑEZ, MANUEL; SÁNCHEZ MÁRQUEZ, JESÚS; ZORRILLA CUENCA, DAVID; GARCÍA HERNÁNDEZ, VÍCTOR JESÚS
Nº Expediente. CA-00149-2014 Fecha Solicitud: 2014-03-26
Rol: Autor
Área: QUÍMICA FÍSICA
Nº Expediente. CA-00149-2014 Fecha Solicitud: 2014-03-26
Rol: Autor
Área: QUÍMICA FÍSICA
8.- UCA-FUKUI
Autores: SÁNCHEZ MÁRQUEZ, JESÚS; SÁNCHEZ CORONILLA, ANTONIO; ZORRILLA CUENCA, DAVID
Nº Expediente. CA-00150-2014 Fecha Solicitud: 2014-03-26
Rol: Autor
Área: QUÍMICA FÍSICA
Nº Expediente. CA-00150-2014 Fecha Solicitud: 2014-03-26
Rol: Autor
Área: QUÍMICA FÍSICA
Tesis tutorizadas
No existen registros para el periodo citado.
Overview