Class information for:
Level 1: CATIVIC//PAIRED INTERACTING ORBITALS//FERMO

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
31152 157 32.0 44%


Bar chart of Publication_year

Last years might be incomplete

Hierarchy of classes
The table includes all classes above and classes immediately below the current class.


Cluster id Level Cluster label #P
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
3 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL PHYSICS//CHEMISTRY, PHYSICAL 183883
384 2             PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF COMPUTATIONAL CHEMISTRY//CHEMISTRY, PHYSICAL 17031
31152 1                   CATIVIC//PAIRED INTERACTING ORBITALS//FERMO 157

Terms with highest relevance score


rank Term termType Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 CATIVIC authKW 777971 4% 67% 6
2 PAIRED INTERACTING ORBITALS authKW 694618 3% 71% 5
3 FERMO authKW 622378 3% 80% 4
4 PARAMETRIC QUANTUM METHOD authKW 622378 3% 80% 4
5 LOCALIZED FRONTIER ORBITALS authKW 388987 1% 100% 2
6 MODELS OF SURFACE CHEMISTRY REACTIONS authKW 388987 1% 100% 2
7 PARAMETRIC FUNCTIONALS authKW 291738 2% 50% 3
8 AB INITO QUANTUM CHEMICAL METHODS AND CALCULATIONS authKW 194494 1% 100% 1
9 ACID CATALYSED ESTER HYDROLYSIS authKW 194494 1% 100% 1
10 ACIDITY OF ALCOHOLS authKW 194494 1% 100% 1

Web of Science journal categories


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 Chemistry, Physical 1314 60% 0% 94
2 Physics, Atomic, Molecular & Chemical 313 18% 0% 29
3 Mathematics, Interdisciplinary Applications 222 9% 0% 14
4 Chemistry, Organic 88 12% 0% 19
5 Chemistry, Multidisciplinary 60 15% 0% 24
6 Computer Science, Interdisciplinary Applications 43 5% 0% 8
7 Chemistry, Inorganic & Nuclear 36 6% 0% 10
8 Physics, Condensed Matter 13 7% 0% 11
9 Social Sciences, Interdisciplinary 6 1% 0% 2
10 Chemistry, Applied 5 3% 0% 4

Address terms


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 CIENCIAS ESCUELA FIS MATEMAT 194494 1% 100% 1
2 CIENCIAS GRP QUIM TEOR 194494 1% 100% 1
3 FIS QUIM SUPERIFCIES 194494 1% 100% 1
4 FISICOQUIM TEOR 194494 1% 100% 1
5 MODELAJE CATALISIS QUIM 194494 1% 100% 1
6 PROC AMIENTO IDUALES CRUDOS PESADOS URB 194494 1% 100% 1
7 QUIM COMPUTAC 67087 9% 2% 14
8 SECTOR TAMBOR 64830 1% 33% 1
9 QUIM ARTADO 89000 48622 1% 25% 1
10 QUIM QUIM COMPUTAC 38897 1% 20% 1

Journals


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class
1 THEORETICA CHIMICA ACTA 3503 3% 0% 5
2 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3423 9% 0% 14
3 JOURNAL OF MOLECULAR CATALYSIS 3273 4% 0% 7
4 JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL 2092 6% 0% 10
5 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 2060 7% 0% 11
6 RESEARCH & DEVELOPMENT 1449 1% 1% 1
7 INTERNATIONAL JOURNAL OF SUPERCOMPUTER APPLICATIONS AND HIGH PERFORMANCE COMPUTING 894 1% 0% 1
8 JOURNAL OF MOLECULAR GRAPHICS 882 1% 0% 1
9 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 733 1% 0% 2
10 SURFACE SCIENCE 709 6% 0% 10

Author Key Words


Rank Term Chi square Shr. of publ. in
class containing
term		 Class's shr. of
term's tot. occurrences		 #P with
term in
class		 LCSH search Wikipedia search
1 CATIVIC 777971 4% 67% 6 Search CATIVIC Search CATIVIC
2 PAIRED INTERACTING ORBITALS 694618 3% 71% 5 Search PAIRED+INTERACTING+ORBITALS Search PAIRED+INTERACTING+ORBITALS
3 FERMO 622378 3% 80% 4 Search FERMO Search FERMO
4 PARAMETRIC QUANTUM METHOD 622378 3% 80% 4 Search PARAMETRIC+QUANTUM+METHOD Search PARAMETRIC+QUANTUM+METHOD
5 LOCALIZED FRONTIER ORBITALS 388987 1% 100% 2 Search LOCALIZED+FRONTIER+ORBITALS Search LOCALIZED+FRONTIER+ORBITALS
6 MODELS OF SURFACE CHEMISTRY REACTIONS 388987 1% 100% 2 Search MODELS+OF+SURFACE+CHEMISTRY+REACTIONS Search MODELS+OF+SURFACE+CHEMISTRY+REACTIONS
7 PARAMETRIC FUNCTIONALS 291738 2% 50% 3 Search PARAMETRIC+FUNCTIONALS Search PARAMETRIC+FUNCTIONALS
8 AB INITO QUANTUM CHEMICAL METHODS AND CALCULATIONS 194494 1% 100% 1 Search AB+INITO+QUANTUM+CHEMICAL+METHODS+AND+CALCULATIONS Search AB+INITO+QUANTUM+CHEMICAL+METHODS+AND+CALCULATIONS
9 ACID CATALYSED ESTER HYDROLYSIS 194494 1% 100% 1 Search ACID+CATALYSED+ESTER+HYDROLYSIS Search ACID+CATALYSED+ESTER+HYDROLYSIS
10 ACIDITY OF ALCOHOLS 194494 1% 100% 1 Search ACIDITY+OF+ALCOHOLS Search ACIDITY+OF+ALCOHOLS

Core articles
The table includes core articles in the class. The following variables is taken into account for the relevance score of an article in a cluster c:
(1) Number of references referring to publications in the class.
(2) Share of total number of active references referring to publications in the class.
(3) Age of the article. New articles get higher score than old articles.
(4) Citation rate, normalized to year.


Rank Reference # ref.
in cl.		 Shr. of ref. in
cl.		 Citations
1 ROSALES, S , MACHIN, I , SANCHEZ, M , RIVAS, G , RUETTE, F , (2006) THEORETICAL MODELING OF MOLECULAR INTERACTIONS OF IRON WITH ASPHALTENES FROM HEAVY CRUDE OIL.JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL. VOL. 246. ISSUE 1-2. P. 146 -153 13 43% 16
2 SHIGA, A , (2010) THEORETICAL STUDY OF HETEROGENEOUS ZIEGLER-NATTA CATALYSTS: A COMPARISON BETWEEN TICL3 CATALYSTS AND MGCL2 SUPPORTED CATALYSTS BY USING PAIRED INTERACTING ORBITALS (PIO) ANALYSIS.MACROMOLECULAR RESEARCH. VOL. 18. ISSUE 10. P. 956 -959 10 43% 4
3 HIRAO, H , OHWADA, T , (2005) GENERATION OF ORBITALS THAT CONTROL MOLECULAR REACTIVITY: PROJECTED REACTIVE ORBITAL APPROACH.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 109. ISSUE 33. P. 7642-7647 8 62% 2
4 SHIGA, A , (1997) THEORETICAL STUDY ON REACTIVITIES OF TI-METHYL BONDS IN D(0) METHYLTITANIUM COMPLEXES FOR INSERTION OF ETHYLENE: ANALYSIS BY ''PAIRED INTERACTING ORBITALS'' (PIO).JOURNAL OF MACROMOLECULAR SCIENCE-PURE AND APPLIED CHEMISTRY. VOL. A34. ISSUE 10. P. 1867-1883 7 88% 5
5 GRIFFE, B , AGRIFOGLIO, G , BRITO, JL , RUETTE, F , (2005) THEORETICAL STUDY OF DIMERIC DIOXO-MU-OXO AND OXO-BIS (MU-OXO) OF MOLYBDENUM COMPLEXES USED IN CATALYTIC OXIDATIONS REACTIONS.CATALYSIS TODAY. VOL. 107-08. ISSUE . P. 388 -396 11 42% 2
6 SHIGA, A , (2002) A PROPOSAL ON AN INDEX OF ACTIVITIES AND SELECTIVITIES OF OLEFIN POLYMERIZATION CATALYSTS BY USING 'PAIRED INTERACTING ORBITALS (PIO)' ANALYSIS.RESEARCH ON CHEMICAL INTERMEDIATES. VOL. 28. ISSUE 5. P. 485-492 12 41% 4
7 SANTIAGO, RT , LA PORTA, FA , ROCHA, MVJ , RAMALHO, TC , FREITAS, MP , DA CUNHA, EFF , (2010) DESCRIPTION OF THE ACID/BASE BEHAVIOR OF ORGANIC PHOSPHINES USING AB INITIO AND CHEMOMETRIC APPROACHES.LETTERS IN ORGANIC CHEMISTRY. VOL. 7. ISSUE 7. P. 552 -556 9 43% 0
8 RUETTE, F , SANCHEZ, M , CASTELLANO, O , SOSCUN, H , (2010) METHODOLOGIES TO ANALYZE SURFACE BONDING PROPERTIES USING PARAMETRIC AND DENSITY FUNCTIONAL METHODS.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 110. ISSUE 3. P. 743 -754 10 38% 0
9 SANCHEZ, M , RUETTE, F , MARCANTOGNINI, SAM , KARASIEV, VV , (2008) IMPROVEMENTS OF PARAMETRIC QUANTUM METHODS WITH NEW ELEMENTARY PARAMETRIC FUNCTIONALS.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 108. ISSUE 10. P. 1831 -1839 10 40% 1
10 SHIGA, A , FUJISAWA, K , (2009) PAIRED INTERACTING ORBITALS (PIO) ANALYSIS OF ELECTRONIC STRUCTURES OF COPPER(I) COMPLEXES WITH HYDROTRIS(PYRAZOLYL)BORATE LIGANDS.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 913. ISSUE 1-3. P. 173-178 8 47% 0

Classes with closest relation at Level 1


Rank Class id link
1 37556 METHYL 3 NITROBENZOATE//1 3 5 TRIACETYLBENZENE//2 HYDROXY 5 METHYL 3 NITROACETOPHENONE
2 24995 METALLIC STATE PRINCIPLE//THEORY OF CHEMISORPTION//ANALYSIS OF CHEMISORPTION BOND
3 21107 SEMIEMPIRICAL MO THEORY//NDDO//DFTB
4 35622 REPEAT SPACE THEORY RST//ASYMPTOTIC LINEARITY THEOREM ALT//ADDITIVITY PROBLEMS
5 31971 ANALYTIC CLUSTER MODEL//PAIR POTENTIAL APPROXIMATION//ANALYTICAL CLUSTER MODEL
6 31532 ATOM NUCL LASER SPECT//ELECTRON BRIDGE//QED PERTURBATION THEORY
7 15296 ASYNCHRONOUS CONCERTED REACTION//BISTRIFLUOROMETHANESULFONYLMETHANE//CILC IRC
8 14489 ADSORPTION ASSISTED DESORPTION//ISOTOPE JUMP METHOD//SURFACE SCIENCE
9 15746 MOLECULAR INFORMATION CHANNELS//MOLECULAR COMMUNICATION SYSTEMS//ORBITAL COMMUNICATION THEORY
10 24207 ONE ELECTRON DENSITY MATRIX//CHARGE BOND ORDER MATRIX//DIRECT THROUGH SPACE AND INDIRECT THROUGH BOND INTERACTIONS

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