Colección SciELO Chile

Departamento Gestión de Conocimiento, Monitoreo y Prospección
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JOURNAL OF PHYSICAL CHEMISTRY A
ISSN 1089-5639
E-ISSN 1520-5215
País S/I
Indexación WoS Scopus

Publicaciones Chile en el período 2008-2021

Autores Chile en el período 2008-2021


Factor de Impacto WoS




Año Factor de Impacto
2011 2.946
2012 2.771
2013 2.771
2014 2.693
2015 2.883
2016 2.847
2017 2.836
2018 2.641
2019 2.6
2020 2.6
2021 2.6

Muestra el factor de impacto de la revista seleccionada en el tiempo.

Disciplinas y Ranking




Año Ranking Cuartil

Muestra la distribución de disciplinas para la revista.

Cuartiles desplegados de acuerdo a WoS, consultando el Journal Citation Report. Estos cuartiles pueden variar dependiendo de la disciplina consultada.

Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.

Origen de las citas recibidas por la revista



Nombre Revista ISSN/ISBN Indexacion Citas
CHEMICAL MODELLING: A SPECIALIST PERIODICAL REPORT, VOL 11 978-1-84973-954-2 WOS 2
CHEMICAL MODELLING: APPLICATIONS AND THEORY, VOL 6 978-1-84755-972-2 WOS 2
METALLIC SYSTEMS: A QUANTUM CHEMIST'S PERSPECTIVE 978-1-4200-6077-5 WOS 1
ACS Omega 2470-1343 WOS, Scopus 8
Molecular Catalysis 2468-8231 WOS, Scopus 3
CHEMPHOTOCHEM 2367-0932 WOS, Scopus 1
CHEMISTRYSELECT 2365-6549 WOS, Scopus 11
FRONTIERS IN CHEMISTRY 2296-2646 WOS, Scopus 2
Computational and Theoretical Chemistry 2210-271X WOS, Scopus 22
ChemistryOpen 2191-1363 WOS, Scopus 3
Journal of Chemistry 2090-9063 WOS, Scopus 3
Polymers 2073-4360 WOS, Scopus 2
Acta Crystallographica Section E: Crystallographic Communications 2056-9890 WOS, Scopus 2
RSC Advances 2046-2069 WOS, Scopus 22
Journal of Physical Chemistry Letters 1948-7185 WOS, Scopus 8
Journal of Physical Chemistry C 1932-7447 WOS, Scopus 39
Arabian #Journal of Chemistry 1878-5352 WOS, Scopus 2
Journal of the Mexican Chemical Society 1870-249X WOS, Scopus 3
Chemistry-An Asian #Journal 1861-4728 WOS, Scopus 7
Science China-Chemistry 1674-7291 WOS, Scopus 3
JOURNAL OF MOLECULAR MODELING 1610-2940 WOS, Scopus 75
LETTERS IN ORGANIC CHEMISTRY 1570-1786 WOS, Scopus 3
Journal of Chemical Theory and Computation 1549-9618 WOS, Scopus 14
Journal of Chemical Information and Modeling 1549-9596 WOS, Scopus 4
JOURNAL OF PHYSICAL CHEMISTRY B 1520-6106 WOS, Scopus 14
DALTON TRANSACTIONS 1477-9226 WOS, Scopus 20
ORGANIC & BIOMOLECULAR CHEMISTRY 1477-0520 WOS, Scopus 12
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 WOS, Scopus 134
CHEMPHYSCHEM 1439-4235 WOS, Scopus 14
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 1434-1948 WOS, Scopus 6
THEORETICAL CHEMISTRY ACCOUNTS 1432-881X WOS, Scopus 59
MOLECULES 1420-3049 WOS, Scopus 12
INORGANIC CHEMISTRY COMMUNICATIONS 1387-7003 WOS, Scopus 1
CURRENT ORGANIC CHEMISTRY 1385-2728 WOS, Scopus 2
JOURNAL OF MOLECULAR CATALYSIS B-ENZYMATIC 1381-1177 WOS, Scopus 1
Journal of Saudi Chemical Society 1319-6103 WOS, Scopus 1
NEW JOURNAL OF CHEMISTRY 1144-0546 WOS, Scopus 24
JOURNAL OF PHYSICAL CHEMISTRY A 1089-5639 WOS, Scopus 127
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 1010-6030 WOS, Scopus 18
ACTA PHYSICO-CHIMICA SINICA 1000-6818 WOS, Scopus 6
BIOSENSORS & BIOELECTRONICS 0956-5663 WOS, Scopus 2
CHEMISTRY-A EUROPEAN JOURNAL 0947-6539 WOS, Scopus 22
COMPUTATIONAL MATERIALS SCIENCE 0927-0256 WOS, Scopus 2
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN 0920-654X WOS, Scopus 3
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY 0894-3230 WOS, Scopus 10
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS 0887-6266 WOS, Scopus 2
LANGMUIR 0743-7463 WOS, Scopus 2
PROPELLANTS EXPLOSIVES PYROTECHNICS 0721-3115 WOS, Scopus 1
Journal of the Chilean Chemical Society 0717-9707 WOS, SciELO, Scopus 4
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY 0376-4710 WOS, Scopus 1
CHEMICAL PAPERS 0366-6352 WOS, Scopus 4
POLYHEDRON 0277-5387 WOS, Scopus 16
ORGANOMETALLICS 0276-7333 WOS, Scopus 8
JOURNAL OF MATHEMATICAL CHEMISTRY 0259-9791 WOS, Scopus 3
JOURNAL OF COMPUTATIONAL CHEMISTRY 0192-8651 WOS, Scopus 25
JOURNAL OF MOLECULAR LIQUIDS 0167-7322 WOS, Scopus 9
Journal of Molecular Structure: THEOCHEM 0166-1280 WOS, Scopus 10
DYES AND PIGMENTS 0143-7208 WOS, Scopus 6
Advances in Quantum Chemistry 0065-3276 WOS, Scopus 1
SURFACE SCIENCE 0039-6028 WOS, Scopus 1
SPECTROSCOPY LETTERS 0038-7010 WOS, Scopus 1
SOLID STATE COMMUNICATIONS 0038-1098 WOS, Scopus 2
SOLAR ENERGY 0038-092X WOS, Scopus 4
PHOTOCHEMISTRY AND PHOTOBIOLOGY 0031-8655 WOS, Scopus 5
MONATSHEFTE FUR CHEMIE 0026-9247 WOS, Scopus 1
MOLECULAR PHYSICS 0026-8976 WOS, Scopus 12
JOURNAL OF ORGANOMETALLIC CHEMISTRY 0022-328X WOS, Scopus 4
JOURNAL OF ORGANIC CHEMISTRY 0022-3263 WOS, Scopus 24
JOURNAL OF MOLECULAR STRUCTURE 0022-2860 WOS, Scopus 11
JOURNAL OF MATERIALS SCIENCE 0022-2461 WOS, Scopus 1
JOURNAL OF CHEMICAL PHYSICS 0021-9606 WOS, Scopus 45
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 0020-7608 WOS, Scopus 51
INORGANICA CHIMICA ACTA 0020-1693 WOS, Scopus 5
INORGANIC CHEMISTRY 0020-1669 WOS, Scopus 31
CHEMICAL PHYSICS LETTERS 0009-2614 WOS, Scopus 46
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE 0008-4042 WOS, Scopus 2
Structure and Bonding 0081-5993 WOS, Scopus 2
REVISTA DE SAUDE PUBLICA 0034-8910 Externa 1
PLOS ONE 1932-6203 Externa 1
BIOMED RESEARCH INTERNATIONAL 2314-6133 Externa 1
COORDINATION CHEMISTRY REVIEWS 0010-8545 Externa 11
CHEMICAL SOCIETY REVIEWS 0306-0012 Externa 3
HELVETICA CHIMICA ACTA 0018-019X Externa 1
SCIENCE OF THE TOTAL ENVIRONMENT 0048-9697 Externa 1
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY 0103-5053 Externa 1
TETRAHEDRON LETTERS 0040-4039 Externa 1
NONEQUILIBRIUM STATISTICAL MECHANICS AND NONLINEAR PHYSICS 0094-243X Externa 4
CHEMICAL REVIEWS 0009-2665 Externa 7
CARBOHYDRATE RESEARCH 0008-6215 Externa 2
JOURNAL OF COORDINATION CHEMISTRY 0095-8972 Externa 1
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE 0044-2313 Externa 2
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 0927-7757 Externa 1
SOLID STATE SCIENCES 1293-2558 Externa 1
SCIENTIFIC REPORTS 2045-2322 Externa 2
BIOMEDICINE & PHARMACOTHERAPY 0753-3322 Externa 1
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 0002-7863 Externa 4
TALANTA 0039-9140 Externa 1
QUIMICA NOVA 0100-4042 Externa 11
JOURNAL OF HAZARDOUS MATERIALS 0304-3894 Externa 3
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY 1735-207X Externa 2
JOURNAL OF HETEROCYCLIC CHEMISTRY 0022-152X Externa 1
ANALYTICA CHIMICA ACTA 0003-2670 Externa 1
ELECTROCHIMICA ACTA 0013-4686 Externa 3
INTERNATIONAL JOURNAL OF PHARMACEUTICS 0378-5173 Externa 2
CHEMOSPHERE 0045-6535 Externa 4
CHEMISTRY OF MATERIALS 0897-4756 Externa 1
POLYMER CHEMISTRY 1759-9954 Externa 1
COLLOID AND POLYMER SCIENCE 0303-402X Externa 1
CHINESE CHEMICAL LETTERS 1001-8417 Externa 1
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 1381-1169 Externa 1
CURRENT PHARMACEUTICAL DESIGN 1381-6128 Externa 1
FREE RADICAL RESEARCH 1071-5762 Externa 1
JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY 0887-624X Externa 1
PROGRESS IN CHEMISTRY 1005-281X Externa 2
JOURNAL OF THE ELECTROCHEMICAL SOCIETY 0013-4651 Externa 1
BIORESOURCE TECHNOLOGY 0960-8524 Externa 1
ELECTROANALYSIS 1040-0397 Externa 1
JOURNAL OF CHROMATOGRAPHIC SCIENCE 0021-9665 Externa 1
APPLIED ORGANOMETALLIC CHEMISTRY 0268-2605 Externa 1
DESALINATION AND WATER TREATMENT 1944-3994 Externa 1
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 0251-0790 Externa 2
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS 0538-8066 Externa 3
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 1386-1425 Externa 8
PHYTOCHEMICAL ANALYSIS 0958-0344 Externa 1
TETRAHEDRON 0040-4020 Externa 7
RESEARCH ON CHEMICAL INTERMEDIATES 0922-6168 Externa 1
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 0027-8424 Externa 1
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY 1388-3127 Externa 1
APPLIED SURFACE SCIENCE 0169-4332 Externa 2
FOOD CHEMISTRY 0308-8146 Externa 1
SENSORS AND ACTUATORS B-CHEMICAL 0925-4005 Externa 7
ACS CATALYSIS 2155-5435 Externa 3
PURE AND APPLIED CHEMISTRY 0033-4545 Externa 1
CHEMICAL ENGINEERING JOURNAL 1385-8947 Externa 1
STRUCTURAL CHEMISTRY 1040-0400 Externa 12
CHEMISTRY CENTRAL JOURNAL 1752-153X Externa 2
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY 1434-193X Externa 3
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 1433-7851 Externa 10
JOURNAL OF LUMINESCENCE 0022-2313 Externa 3
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 1474-905X Externa 4
JOURNAL OF PAEDIATRICS AND CHILD HEALTH 1034-4810 Externa 1
THIN SOLID FILMS 0040-6090 Externa 1
BULLETIN OF THE KOREAN CHEMICAL SOCIETY 1229-5949 Externa 2
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 0739-1102 Externa 3
PHYSICAL REVIEW D 2470-0010 Externa 1
MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY 0035-8711 Externa 1
NUTRIENTS 2072-6643 Externa 1
ENTROPY 1099-4300 Externa 1
MATERIALS 1996-1944 Externa 1
NANOMATERIALS 2079-4991 Externa 1
REMOTE SENSING 2072-4292 Externa 1
APPLIED SCIENCES-BASEL 2076-3417 Externa 1
ACS APPLIED MATERIALS & INTERFACES 1944-8244 Externa 1
CHEMICAL PHYSICS 0301-0104 Externa 5
CHEMICAL COMMUNICATIONS 1359-7345 Externa 6
SCIENCE ADVANCES 2375-2548 Externa 1
IEEE NETWORK 0890-8044 Externa 1
CATALYSTS 2073-4344 Externa 1
JOURNAL OF MATERIALS CHEMISTRY A 2050-7488 Externa 1
INTERNATIONAL JOURNAL OF MODERN PHYSICS B 0217-9792 Externa 1
CERAMICS INTERNATIONAL 0272-8842 Externa 1
SOLAR ENERGY MATERIALS AND SOLAR CELLS 0927-0248 Externa 1
SUSTAINABLE CHEMISTRY AND PHARMACY 2352-5541 Externa 1
CRYSTENGCOMM 1466-8033 Externa 1
JOURNAL OF PORPHYRINS AND PHTHALOCYANINES 1088-4246 Externa 1
ACS SENSORS 2379-3694 Externa 1
SYNTHETIC METALS 0379-6779 Externa 1
MOLECULAR DIVERSITY 1381-1991 Externa 1
REVISTA MEXICANA DE FISICA 0035-001X Externa 1
NANOSCALE 2040-3364 Externa 2
GREEN CHEMISTRY 1463-9262 Externa 1
CURRENT APPLIED PHYSICS 1567-1739 Externa 2
INORGANIC CHEMISTRY FRONTIERS 2052-1553 Externa 1
CHINESE JOURNAL OF PHYSICS 0577-9073 Externa 2
CHEMCATCHEM 1867-3880 Externa 3
ADVANCED MATERIALS 0935-9648 Externa 1
MATERIALS CHEMISTRY AND PHYSICS 0254-0584 Externa 2
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY 1860-5397 Externa 1
CATALYSIS SCIENCE & TECHNOLOGY 2044-4753 Externa 1
MATERIALS TRANSACTIONS 1345-9678 Externa 1
PHOTOSYNTHESIS RESEARCH 0166-8595 Externa 1
ADVANCES IN MATERIALS SCIENCE AND ENGINEERING 1687-8434 Externa 1
ANALYTICAL METHODS 1759-9660 Externa 2
INDOOR AIR 0905-6947 Externa 1
MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS 0928-4931 Externa 1
PHYSICS LETTERS A 0375-9601 Externa 1
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE 1759-0876 Externa 2
7TH INTERNATIONAL CONFERENCE ON INFORMATION TECHNOLOGY AND QUANTITATIVE MANAGEMENT (ITQM 2019): INFORMATION TECHNOLOGY AND QUANTITATIVE MANAGEMENT BASED ON ARTIFICIAL INTELLIGENCE 1877-0509 Externa 1
ACS NANO 1936-0851 Externa 1
CHINESE JOURNAL OF CHEMICAL PHYSICS 1674-0068 Externa 2
ORGANIC CHEMISTRY FRONTIERS 2052-4129 Externa 3
CHEMICAL SCIENCE 2041-6520 Externa 2
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY 1226-086X Externa 1
OPTICS AND LASERS IN ENGINEERING 0143-8166 Externa 1
CHEMICAL BIOLOGY & DRUG DESIGN 1747-0277 Externa 1
JOURNAL OF MOLECULAR GRAPHICS & MODELLING 1093-3263 Externa 6
ACS EARTH AND SPACE CHEMISTRY 2472-3452 Externa 1
ISCIENCE 2589-0042 Externa 1
JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY 1941-7012 Externa 1
INTERNATIONAL JOURNAL OF PHOTOENERGY 1110-662X Externa 1
CANADIAN JOURNAL OF PHYSICS 0008-4204 Externa 1
POLYMER DEGRADATION AND STABILITY 0141-3910 Externa 1
RUSSIAN CHEMICAL BULLETIN 1066-5285 Externa 1
JOURNAL OF FLUORESCENCE 1053-0509 Externa 2
ADVANCED SYNTHESIS & CATALYSIS 1615-4150 Externa 1
JOURNAL OF MATERIALS CHEMISTRY C 2050-7526 Externa 3
ACS INFECTIOUS DISEASES 2373-8227 Externa 1
ORGANIC ELECTRONICS 1566-1199 Externa 1
ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS 2050-7887 Externa 1
ENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY 1944-7442 Externa 1
JOURNAL OF CLUSTER SCIENCE 1040-7278 Externa 2
COMPTES RENDUS CHIMIE 1631-0748 Externa 1
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 0219-6336 Externa 1
JOURNAL OF NANOMATERIALS 1687-4110 Externa 1
INORGANICS 2304-6740 Externa 2
JOURNAL OF STRUCTURAL CHEMISTRY 0022-4766 Externa 4
RESEARCH JOURNAL OF PHARMACEUTICAL BIOLOGICAL AND CHEMICAL SCIENCES 0975-8585 Externa 1
COMMENTS ON INORGANIC CHEMISTRY 0260-3594 Externa 1
FUTURE MEDICINAL CHEMISTRY 1756-8919 Externa 1
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES 1005-9040 Externa 1
FARADAY DISCUSSIONS 1359-6640 Externa 1
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS 0942-9352 Externa 1
ORIENTAL JOURNAL OF CHEMISTRY 0970-020X Externa 1
ANNUAL REVIEW OF BIOPHYSICS, VOL 48 1936-122X Externa 1
PROGRESS IN REACTION KINETICS AND MECHANISM 1468-6783 Externa 1
BULLETIN OF MATERIALS SCIENCE 0250-4707 Externa 1
JOURNAL OF CENTRAL SOUTH UNIVERSITY 2095-2899 Externa 1
MATERIALS CHEMISTRY FRONTIERS 2052-1537 Externa 3
JOURNAL OF APPLIED SPECTROSCOPY 0021-9037 Externa 1
ACTA CHIMICA SINICA 0567-7351 Externa 2
NANOTECHNOLOGY REVIEWS 2191-9089 Externa 1
JOURNAL OF MANUAL & MANIPULATIVE THERAPY 1066-9817 Externa 1
RADIOCHIMICA ACTA 0033-8230 Externa 1
JOURNAL OF CHEMINFORMATICS 1758-2946 Externa 1
SAR AND QSAR IN ENVIRONMENTAL RESEARCH 1062-936X Externa 1
ADVANCED SCIENCE LETTERS 1936-6612 Externa 1
SOLID STATE NUCLEAR MAGNETIC RESONANCE 0926-2040 Externa 1
JOURNAL OF SPECTROSCOPY 2314-4920 Externa 1
IRBM 1959-0318 Externa 1
MATERIALS TODAY CHEMISTRY 2468-5194 Externa 1
BULLETIN OF THE KOREAN CHEMICAL SOCIETY 0253-2964 Externa 1
MACROMOLECULAR REACTION ENGINEERING 1862-832X Externa 1
CHEMICAL MODELLING, VOL 12 1472-0965 Externa 1
NUCLEAR MAGNETIC RESONANCE: A SPECIALIST PERIODICAL REPORT, VOL 44 0305-9804 Externa 1
UNCONVENTIONAL THIN FILM PHOTOVOLTAICS 2044-0774 Externa 1
MOLECULAR AND CELLULAR LIFE SCIENCES: INFECTIOUS DISEASES, BIOCHEMISTRY AND STRUCTURAL BIOLOGY 2015 CONFERENCE 1876-6196 Externa 1
CENTRAL EUROPEAN JOURNAL OF CHEMISTRY 1895-1066 Externa 2
IONIC LIQUIDS - NEW ASPECTS FOR THE FUTURE 978-953-51-0937-2 Externa 1
CHEMICAL BOND: FUNDAMENTAL ASPECTS OF CHEMICAL BONDING 978-3-527-33314-1 Externa 1
ORGANOMETALLIC PINCER CHEMISTRY 1436-6002 Externa 2
DESIGN AND APPLICATIONS OF NANOMATERIALS FOR SENSORS 978-94-017-8847-2 Externa 1
ANNUAL REPORTS ON THE PROGRESS OF CHEMISTRY 2011, VOL 107, SECTION C: PHYSICAL CHEMISTRY 0260-1826 Externa 3
BIOSENSORS NANOTECHNOLOGY 978-1-118-77351-2 Externa 1
CELL REPORTS PHYSICAL SCIENCE 2666-3864 Externa 1

Listado ordenado (según número de citas) de Revistas que citan a la revista consultada en este perfil.

: Las citas a esta revista provienen de documentos no incluidos en la base de datos de DATACIENCIA

Publicaciones



Título Año Citas
Excited States Versus Reaction Intermediates As Active Species In Photoinduced Redox Reactions Of Cyrhetrenyl And Ferrocenyl Chalcones: A 351 Nm Flash Photolysis Study 2019 0
Reactivity Of Carbon Molecular Clusters From A Huckel Type Model 2019 2
Understanding The Selective Sensing Mechanism Of Al<Sup>3+</Sup> Cation By A Chemical Sensor Based On Schiff Base: A Theoretical Approach 2019 30
Rigid Bender Close Coupling Treatment Of The Inelastic Collisions Of H<Sub>2</Sub>O With <I>Para</I> H<Sub>2</Sub> 2019 16
Mechanism Of Visible Light Photooxidative Demethylation Of Toluidine Blue O 2019 7
Transferable Kinetic Monte Carlo Models With Thousands Of Reactions Learned From Molecular Dynamics Simulations 2019 10
Information Theoretic Approaches To Atoms In Molecules: Hirshfeld Family Of Partitioning Schemes 2018 74
Insights Into The Mechanism Of Ground And Excited State Double Proton Transfer Reaction In Formic Acid Dimer 2017 12
Pamam Dendrimers As Support For The Synthesis Of Gold Nanoparticles: Understanding The Effect Of The Terminal Groups 2017 16
Computational Study Of C 13 Nmr Chemical Shift Anisotropy Patterns In C20 H10 And [C20 H10](4 ). Insights Into Their Variation Upon Planarization And Formation Of Concentric Aromatic Species In The Smaller Isolated Pentagon Structural Motif 2017 8
Structural, Electronic, And Thermodynamic Properties Of The T And B Phases Of Niobia: First Principle Calculations 2017 22
Organometallic Chalcones Functioning As Radical Traps: Observations On The Solvated Electron Reduction And The C Center Dot H2 Oh And C Center Dot H2 Cl Addition Processes. A Time Resolved, Mechanistic Study 2016 4
Energetic, Structural, And Vibrational Properties Of 4,4 ' Methylenediphenyl Diisocyanate With Relevance For Adhesion 2016 5
Spectral And Kinetic Study Of 3 Methylquinoxalin 2 Ones Photoreduced By Amino Acids: N Phenylglycine Radical Chain Reactions And N Acetyltryptophan Decarboxylation 2016 5
The Nature Of The Donor Motif In Acceptor Bridge Donor Dyes As An Influence In The Electron Photo Injection Mechanism In Dss Cs 2016 37
Pyrene Scaffold As Real Time Fluorescent Turn On Chemosensor For Selective Detection Of Trace Level Al(iii) And Its Aggregation Induced Emission Enhancement 2016 125
Aromatic Lateral Substituents Influence The Excitation Energies Of Hexaaza Lanthanide Macrocyclic Complexes: A Wave Function Theory And Density Functional Study 2015 8
Understanding The Highly Varying P K(a) Of Arylamines. A Perspective From The Average Local Ionization Condensed To Atom Framework 2015 5
Binding Of Trivalent Arsenic Onto The Tetrahedral Au 20 And Au19 Pt Clusters: Implications In Adsorption And Sensing 2015 21
Dual Emission Of A Novel (P,N) Re I Complex: A Computational And Experimental Study On [P,N {(C6 H5)(2)(C5 H4 N)p}Re(co)(3)br] 2015 18
Understanding The Influence Of Terminal Ligands On The Electronic Structure And Bonding Nature In [Re 6(mu(3) Q(8))](2+) Clusters 2014 15
Shape Of The Absorption And Fluorescence Spectra Of Condensed Phases And Transition Energies 2014 3
Traditional And Ion Pair Halogen Bonded Complexes Between Chlorine And Bromine Derivatives And A Nitrogen Heterocyclic Carbene 2014 36
Spectral And Kinetic Properties Of Radical Cations Derived From Oxoisoaporphines: Relevance To Electron Transfer Processes Involving Phytoalexins 2014 2
Theoretical And Experimental Vibrational Spectroscopic Investigation Of Two R1 R2 Diphenylsilyl Containing Monomers And Their Optically Active Derivative Polymer 2014 5
Ab Lnitio Molecular Dynamics Study Of Small Alkali Metal Clusters 2014 8
Orbital Localization Criterion As A Complementary Tool In The Bonding Analysis By Means Of Electron Localization Function: Study Of The Si N(bh)(5 N)(2 ) (N=0 5) Clusters 2013 9
Antenna Effect By Organometallic Chromophores In Bimetallic D F Complexes 2013 9
Is Al2 Cl6 Aromatic? Cautions In Superficial Nics Interpretation 2013 40
Intrinsic Relative Scales Of Electrophilicity And Nucleophilicity 2013 16
A Detailed Look At The Reaction Mechanisms Of Substituted Carbenes With Water 2013 23
Theoretical Study Of Sensitizer Candidates For Dye Sensitized Solar Cells: Peripheral Substituted Dizinc Pyrazinoporphyrazine Phthalocyanine Complexes 2013 48
Insights Into The Mechanism Of An S(n)2 Reaction From The Reaction Force And The Reaction Electronic Flux 2012 31
Survey Of Long D(10) D(10) Metallophilic Contacts In Four Membered Rings Of Ag(i) And Au(i) Supported By Carbene Pyrazole Mixed Ligands 2012 20
Mechanisms Of Formation Of Hemiacetals: Intrinsic Reactivity Analysis 2012 23
Aromaticity, Optical Properties And Zero Field Splitting Of Homo And Hetero Bimetallic (C8 H8)m(mu(2) ,Eta(8)=C8 H8)m(c8 H8) Where M = Ti, Zr, Th Complexes 2012 3
Substituents Effects On Two Related Families Of Dyes For Dye Sensitized Solar Cells: [Ru(4,4 ' R,R 2,2 ' Bpy)(3)](2+) And [Ru(4,4 ' Cooh 2,2 ' Bpy)(4,4 ' R,R 2,2 ' Bpy)(2)](2+) 2012 9
Understanding The Physics And Chemistry Of Reaction Mechanisms From Atomic Contributions: A Reaction Force Perspective 2012 18
A Relation Between Different Scales Of Electrophilicity: Are The Scales Consistent Along A Chemical Reaction? 2012 8
A Relativistic Study Of The Electronic And Magnetic Properties Of Cerocene And Thorocene And Its Anions 2012 18
Nature Of The Excited State Of Triangulo Silver N Heterocyclic Carbenes. Insights From Relativistic Dft Calculations 2012 13
Coumarin 314 Free Radical Cation: Formation, Properties, And Reactivity Toward Phenolic Antioxidants 2012 10
Theoretical Study On The Electronic Excitations Of A Porphyrin Polypyridyl Ruthenium(ii) Photosensitizer 2011 14
Bonding And Magnetic Response Properties Of Several Toroid Structures. Insights Of The Role Of Ni2 S2 As A Building Block From Relativistic Density Functional Theory Calculations 2011 16
Bonding Nature And Electron Delocalization Of An(cot)(2), An = Th, Pa, U 2011 22
A Computationally Efficient And Reliable Bond Order Measure 2011 8
The Mechanism Of H 2 Activation By (Amino)carbenes 2011 32
Characterizing The Mechanism Of The Double Proton Transfer In The Formamide Dimer 2011 30
The Fukui Potential And The Capacity Of Charge And The Global Hardness Of Atoms 2011 43
Electronic Structure Calculations On Helical Conducting Polymers 2010 10
Role Of Water Complexes In The Reaction Of Propionaldehyde With Oh Radicals 2010 31
Line Shapes In Infrared Absorption By Solids And By Atomic Or Molecular Species Embedded In Solids 2010 5
Electronic Delocalization, Energetics, And Optical Properties Of Tripalladium Ditropylium Halides, [Pd 3(c7 H7)(2)x 3](1 ) (X = Cl , Br , And I ) 2010 26
A Microscopic Macroscopic Analysis For Mixed Energy Transfer Schemes In Doped Amorphous Solids 2010 3
Calculated Molecular Properties Of Triangular Tribenzo And Perfluoro Tribenzo Trimercuronin Macrocycles 2010 29
Endohedral Cluster Of Li10 O With T D Symmetry 2009 3
Chemical Reactivity Descriptors For Ambiphilic Reagents: Dual Descriptor, Local Hypersoftness, And Electrostatic Potential 2009 131
Reversibility From Dft Based Reactivity Indices: Intramolecular Side Reactions In The Polymerization Of Poly(vinyl Chloride) 2009 11
Photoreduction Of Oxoisoaporphines By Amines: Laser Flash And Steady State Photolysis, Pulse Radiolysis, And Td Dft Studies 2009 8
On The Nucleophilicity Of Boryllithium Compounds. A Theoretical Study 2009 14
Reaction Force Analysis Of Solvent Effects In The Addition Of H Cl To Propene 2009 30
On The Role Of Short And Strong Hydrogen Bonds On The Mechanism Of Action Of A Model Chymotrypsine Active Site 2009 9
Spin Orbit Effects On The Aromaticity Of The Re3 X92 (X = Cl, Br) Cluster Ions 2009 25
On The Principle Of Spin Potential Equalization 2009 3
Theoretical Study Of The Regioselectivity Of [2+2] Photocycloaddition Reactions Of Acrolein With Olefins 2009 41
Effect Of Chlorin Structure On Theoretical Electronic Absorption Spectra And On The Energy Released By Porphyrin Based Photosensitizers 2008 29
Reaction Electronic Flux: A New Concept To Get Insights Into Reaction Mechanisms. Study Of Model Symmetric Nucleophilic Substitutions 2008 90
Theoretical Study Of Cytosine Deamination From The Perspective Of The Reaction Force Analysis 2008 38
Transient Phenomena In The Pulse Radiolysis Of Oxoisoaporphine Derivatives In Acetonitrile 2008 10
Theoretical Insight Into Pyrrole Inversion And Planarity In 5,10,15,20 Tetraphenylsapphyrin And 5,10,15,20 Tetraphenyl 26,28 Diheterosapphyrins With Two O, S, Or Se Atoms 2008 12
The Study Of Redox Reactions On The Basis Of Conceptual Dft Principles: Eem And Vertical Quantities 2008 49
Stochastic Search Of The Quantum Conformational Space Of Small Lithium And Bimetallic Lithium Sodium Clusters 2008 77
An Understanding Of The Electrophilic/Nucleophilic Behavior Of Electro Deficient 2,3 Disubstituted 1,3 Butadienes In Polar Diels Alder Reactions. A Density Functional Theory Study 2008 105
Hartree Fock And Density Functional Theory Study Of α Cyclodextrin Conformers 2008 15
Theoretical Study Of The Mechanism Of Catalytic Enanteoselective N H And O H Insertion Reactions 2020 6
Rotational Transitions Of Hoc<Sup>+</Sup> Induced By Collision With He At Low Temperatures 2019 1
Orbital Weighted Dual Descriptor For The Study Of Local Reactivity Of Systems With (Quasi ) Degenerate States 2019 63
Computing The Fukui Function In Solid State Chemistry: Application To Alkaline Earth Oxides Bulk And Surfaces 2020 12
Spectral Decomposition Of The Reaction Force Constant 2020 4
Real Space Approach To The Reaction Force: Understanding The Origin Of Synchronicity/Nonsynchronicity In Multibond Chemical Reactions 2020 10
Formation Of Formic Acid Derivatives Through Activation And Hydroboration Of Co2 By Low Valent Group 14 (Si, Ge, Sn, Pb) Catalysts 2020 17
Atom Condensed Fukui Function In Condensed Phases And Biological Systems And Its Application To Enzymatic Fixation Of Carbon Dioxide 2020 5
A Comparative Photophysical And Photochemical Study Of Nitropyrene Isomers Occurring In The Environment 2011 0
New Sensitive And Selective Chemical Sensors For Ni<Sup>2+</Sup> And Cu<Sup>2+</Sup> Ions: Insights Into The Sensing Mechanism Through Dft Methods 2020 7
Predicting Deprotonation Sites Using Alchemical Derivatives 2020 9
Description Of The Reaction Intermediate Stabilization For The Zimmerman Di π Methane Rearrangement On The Basis Of A Parametric Diabatic Analysis 2020 2
Exploring The Nature Of Interaction And Stability Between Water Soluble Arsenic Pollutants And Metal Phosphorene Hybrids: A Density Functional Theory Study 2020 8
Tribute To Paul Geerlings 2020 0
Electron Density Difference Analysis On The Oxidative And Reductive Quenching Cycles Of Classical Iridium And Ruthenium Photoredox Catalysts 2020 10
First Principles Identification Of Single Photon Emitters Based On Carbon Clusters In Hexagonal Boron Nitride 2021 35
1,3 Dipolar Cycloadditions By A Unified Perspective Based On Conceptual And Thermodynamics Models Of Chemical Reactivity 2021 7
Dft Investigation Of The η<Sup>6</Sup> ⇆ η<Sup>6</Sup> Inter Ring Haptotropic Rearrangement Of The Group 8 Metals Complexes [(Graphene)m Cp]<Sup>+</Sup> (M = Fe, Ru, Os) 2021 0
The Relative Stability Of Indole Isomers Is A Consequence Of The Glidewell Lloyd Rule 2021 10
Assessment Of New Expanded Porpholactones As Uv Nis/Nir Chromophores For Dye Sensitized Solar Cell Applications 2021 3
Coulomb Explosion Of Multi Charged Atomic Alkaline Metal Clusters 2021 0
Zintl Lewis Superacids: Al(ge<Sub>9</Sub>L<Sub>3</Sub>)<Sub>3</Sub> (L = H, Ch<Sub>3</Sub>, Cho, Cn) 2021 1
Are There Only Fold Catastrophes In The Diels Alder Reaction Between Ethylene And 1,3 Butadiene? 2021 16
Aromaticity In Phenyl Decorated <I>Closo</I> Monocarboranes. Planar Spherical Aggregates Involving 7 12 Vertex Cages 2021 4
Planar Tetracoordinate Carbons In Allene Type Structures 2021 9
Insight Into The Stability And Electronic And Optical Properties Of N Heterocyclic Carbene Analogues Of Halogen/Phosphine Protected Au<Sub>13</Sub> Superatomic Clusters 2022 6
Substituent Effects On Aluminyl Anions And Derived Systems: A High Level Theory 2021 2
On Electron Pair Rearrangements In Photochemical Reactions: 1,3 Cyclohexadiene Ring Opening 2022 9
Study Of The Cn(x<Sup>2</Sup>σ<Sup>+</Sup>) + N(<Sup>4</Sup>S) Reaction At High Temperatures: Potential Energy Surface And Thermal Rate Coefficients 2021 2
How Does Electronic Activity Drive Chemical Reactions? Insights From The Reaction Electronic Flux For The Conversion Of Dopamine Into Norepinephrine 2022 3
Expanding The Knowledge Of The Selective Sensing Mechanism Of Nitro Compounds By Luminescent Terbium Metal Organic Frameworks Through Multiconfigurational Ab Initio Calculations 2022 5
Optical Properties Of Polycyclic Aromatic Hydrocarbon Clusters With Oxygenated Substitutions: A Theoretical Analysis 2022 0
Intramolecular Hydrogen Bond In Pyridine Schiff Bases As Ancillary Ligands Of Re(i) Complexes Is A Switcher Between Visible And Nir Emissions: A Relativistic Quantum Chemistry Study 2022 0
Machine Learning Identification Of Organic Compounds Using Visible Light 2023 0
High Level Coupled Cluster Study On Substituent Effects In H2 Activation By Low Valent Aluminyl Anions 2023 2
On The Prediction Of Lattice Energy With The Fukui Potential: Some Supports On Hardness Maximization In Inorganic Solids 2022 6
High Level Coupled Cluster Study On Substituent Effects In H2 Activation By Low Valent Aluminyl Anions 2023 2
Hyperthermal Dynamics And Kinetics Of The C(3 P)+N2(x1? +G) ? Cn(x2? +) + N(4 S) Reaction 2023 1
A Comparative Study Of The Cold Collisions Of H2 O And D2 O With Ne 2023 1
Revisiting The Structure And Bonding In Li5 H6 And The Exploration Of Reactivity: Planar Pentacoordinate Hydrogen 2024 0
Basis Electronic Activity Of Molecular Systems. A Theory Of Bond Reactivity 2024 0
Formulating Reduced Density Gradient Approaches For Noncovalent Interactions 2024 0
Exploring The Nature Of Chemical Bonding Between Noble Gases And Hypercoordinate Group 13 Compounds: Beyond Boron 2024 0

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