Class information for:
Level 1: BROKEN SYMMETRY APPROACH//DDCI//MAGNETIC COUPLING CONSTANT

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
10780 1036 42.6 63%


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
16 3       CHEMISTRY, INORGANIC & NUCLEAR//INORGANIC CHEMISTRY//CHEM 121904
834 2             SINGLE MOLECULE MAGNETS//NITRONYL NITROXIDE//NITRONYL NITROXIDE RADICAL 11807
10780 1                   BROKEN SYMMETRY APPROACH//DDCI//MAGNETIC COUPLING CONSTANT 1036

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 BROKEN SYMMETRY APPROACH authKW 526285 2% 71% 25
2 DDCI authKW 180519 1% 88% 7
3 MAGNETIC COUPLING CONSTANT authKW 133956 1% 45% 10
4 OVERLAP INTERACTION authKW 117891 0% 100% 4
5 LOCAL ORBITALS authKW 111083 1% 54% 7
6 IRSAMC address 103036 6% 6% 63
7 PHYS QUANT address 90079 5% 6% 54
8 BROKEN SYMMETRY authKW 89377 2% 16% 19
9 AB INITIO RESTRICTED HARTREE FOCK MOLECULAR ORBITAL authKW 88418 0% 100% 3
10 COUNTERCOMPLEMENTARY EFFECT authKW 88418 0% 100% 3

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, Inorganic & Nuclear 13881 41% 0% 425
2 Physics, Atomic, Molecular & Chemical 3074 22% 0% 230
3 Chemistry, Physical 1843 30% 0% 307
4 Crystallography 1597 11% 0% 115
5 Chemistry, Multidisciplinary 810 20% 0% 210
6 Physics, Condensed Matter 29 5% 0% 53
7 Mathematics, Interdisciplinary Applications 23 2% 0% 16
8 Humanities, Multidisciplinary 2 0% 0% 3
9 Engineering, Petroleum -0 0% 0% 1
10 Education, Scientific Disciplines -0 0% 0% 2

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 IRSAMC 103036 6% 6% 63
2 PHYS QUANT 90079 5% 6% 54
3 CHIM PHYS QUANT 81751 3% 10% 29
4 QUIM FIS INORGAN 76906 4% 6% 46
5 DIPARTIMENTO SCI CHIM FAMACEUT 66312 0% 75% 3
6 ESPECIAL RECERCA QUIM TEOR 60812 1% 14% 15
7 CIENCIAS C8 58945 0% 100% 2
8 UMR5626 58929 1% 20% 10
9 CERQT 57230 1% 15% 13
10 REC QUIM TEOR 40104 1% 19% 7

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 INORGANIC CHEMISTRY 6401 9% 0% 98
2 POLYHEDRON 5010 5% 0% 53
3 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 4992 3% 1% 28
4 INORGANICA CHIMICA ACTA 4838 5% 0% 53
5 JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS 3340 4% 0% 38
6 ACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY 2446 1% 1% 9
7 EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 1743 2% 0% 25
8 INORGANICA CHIMICA ACTA-ARTICLES 1642 1% 1% 8
9 DALTON TRANSACTIONS 1612 3% 0% 32
10 BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN 1528 3% 0% 31

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 BROKEN SYMMETRY APPROACH 526285 2% 71% 25 Search BROKEN+SYMMETRY+APPROACH Search BROKEN+SYMMETRY+APPROACH
2 DDCI 180519 1% 88% 7 Search DDCI Search DDCI
3 MAGNETIC COUPLING CONSTANT 133956 1% 45% 10 Search MAGNETIC+COUPLING+CONSTANT Search MAGNETIC+COUPLING+CONSTANT
4 OVERLAP INTERACTION 117891 0% 100% 4 Search OVERLAP+INTERACTION Search OVERLAP+INTERACTION
5 LOCAL ORBITALS 111083 1% 54% 7 Search LOCAL+ORBITALS Search LOCAL+ORBITALS
6 BROKEN SYMMETRY 89377 2% 16% 19 Search BROKEN+SYMMETRY Search BROKEN+SYMMETRY
7 AB INITIO RESTRICTED HARTREE FOCK MOLECULAR ORBITAL 88418 0% 100% 3 Search AB+INITIO+RESTRICTED+HARTREE+FOCK+MOLECULAR+ORBITAL Search AB+INITIO+RESTRICTED+HARTREE+FOCK+MOLECULAR+ORBITAL
8 COUNTERCOMPLEMENTARY EFFECT 88418 0% 100% 3 Search COUNTERCOMPLEMENTARY+EFFECT Search COUNTERCOMPLEMENTARY+EFFECT
9 MAGNETIC COUPLING 83124 3% 10% 29 Search MAGNETIC+COUPLING Search MAGNETIC+COUPLING
10 DINUCLEAR COPPERII COMPLEX 81844 1% 19% 15 Search DINUCLEAR+COPPERII+COMPLEX Search DINUCLEAR+COPPERII+COMPLEX

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 MALRIEU, JP , CABALLOL, R , CALZADO, CJ , DE GRAAF, C , GUIHERY, N , (2014) MAGNETIC INTERACTIONS IN MOLECULES AND HIGHLY CORRELATED MATERIALS: PHYSICAL CONTENT, ANALYTICAL DERIVATION, AND RIGOROUS EXTRACTION OF MAGNETIC HAMILTONIANS.CHEMICAL REVIEWS. VOL. 114. ISSUE 1. P. 429 -492 164 21% 63
2 CALZADO, CJ , (2013) ON THE CONTROVERSIAL FITTING OF SUSCEPTIBILITY CURVES OF FERROMAGNETIC CUII CUBANES: INSIGHTS FROM THEORETICAL CALCULATIONS.CHEMISTRY-A EUROPEAN JOURNAL. VOL. 19. ISSUE 4. P. 1254-1261 44 77% 11
3 OZAROWSKI, A , CALZADO, CJ , SHARMA, RP , KUMAR, S , JEZIERSKA, J , ANGELI, C , SPIZZO, F , FERRETTI, V , (2015) METAL-METAL INTERACTIONS IN TRINUCLEAR COPPER(II) COMPLEXES [CU-3(RCOO)(4)(H(2)TEA)(2)] AND BINUCLEAR [CU-2(RCOO)(2)(H(2)TEA)(2)]. SYNTHESES AND COMBINED STRUCTURAL, MAGNETIC, HIGH-FIELD ELECTRON PARAMAGNETIC RESONANCE, AND THEORETICAL STUDIES.INORGANIC CHEMISTRY. VOL. 54. ISSUE 24. P. 11916 -11934 55 47% 3
4 NEGODAEV, I , DE GRAAF, C , CABALLOL, R , LUKOV, VV , (2011) ON THE MAGNETIC COUPLING IN ASYMMETRIC BRIDGED CU(II) DINUCLEAR COMPLEXES: THE INFLUENCE OF SUBSTITUTIONS ON THE CARBOXYLATO GROUP.INORGANICA CHIMICA ACTA. VOL. 375. ISSUE 1. P. 166-172 40 71% 8
5 BANDEIRA, NAG , MAYNAU, D , ROBERT, V , LE GUENNIC, B , (2013) DO PI-PI STACKING INTERACTIONS REALLY PLAY A ROLE IN THE MAGNETIC COUPLING MECHANISMS OF [CU-2(MU(2)-CH3COO)(2)L-2(H2O)(2)](N+) (L = HETEROCYCLIC BASE, N=0, 2) COMPLEXES? AN AB INITIO INSPECTION.INORGANIC CHEMISTRY. VOL. 52. ISSUE 14. P. 7980 -7986 49 49% 12
6 PERALTA, JE , PHILLIPS, JJ , (2012) MAGNETIC EXCHANGE COUPLINGS FROM SEMILOCAL FUNCTIONALS EVALUATED NONSELF-CONSISTENTLY ON HYBRID DENSITIES: INSIGHTS ON RELATIVE IMPORTANCE OF EXCHANGE, CORRELATION, AND DELOCALIZATION.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 8. ISSUE 9. P. 3147 -3158 59 44% 3
7 MOREIRA, IPR , ILLAS, F , (2006) A UNIFIED VIEW OF THE THEORETICAL DESCRIPTION OF MAGNETIC COUPLING IN MOLECULAR CHEMISTRY AND SOLID STATE PHYSICS.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 8. ISSUE 14. P. 1645 -1659 56 41% 119
8 CALZADO, CJ , ANGELI, C , DE GRAAF, C , CABALLOL, R , (2011) ANALYSIS OF THE MAGNETIC COUPLING IN NITROXIDE ORGANIC BIRADICALS.THEORETICAL CHEMISTRY ACCOUNTS. VOL. 128. ISSUE 4-6. P. 505 -519 46 51% 14
9 SEPPALA, P , COLACIO, E , MOTA, AJ , SILLANPAA, R , (2013) STRUCTURAL DIVERSITY DUE TO AMINO ALCOHOL LIGANDS LEADING TO RARE MU(4)-HYDROXO-BRIDGED TETRANUCLEAR AND "BICAPPED CUBANE" CORES IN COPPER(II) COMPLEXES: A THEORETICAL AND EXPERIMENTAL MAGNETOSTRUCTURAL STUDY.INORGANIC CHEMISTRY. VOL. 52. ISSUE 19. P. 11096-11109 50 45% 4
10 TENTI, L , MAYNAU, D , ANGELI, C , CALZADO, CJ , (2016) HIGHLY EFFICIENT PERTURBATIVE PLUS VARIATIONAL STRATEGY BASED ON ORTHOGONAL VALENCE BOND THEORY FOR THE EVALUATION OF MAGNETIC COUPLING CONSTANTS. APPLICATION TO THE TRINUCLEAR CU(II) SITE OF MULTICOPPER OXIDASES.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 18. ISSUE 27. P. 18365 -18380 35 61% 0

Classes with closest relation at Level 1


Rank Class id link
1 14476 PYRIDINECARBOXYLATE COMPLEXES//COPPERII CARBOXYLATES//ALPHA BETA UNSATURATED CARBOXYLATE
2 37612 SULFUR DONOR FUNCTION//FLYTRAP AMINOPYRIDINIUM BASED ANION HOSTS//INTERMOLECULAR C H CENTER DOT CENTER DOT CENTER DOT F C INTERACTIONS
3 4603 INORGAN SECT//AZIDO BRIDGE//AZIDO COMPLEXES
4 5047 CATECHOLASE ACTIVITY//CATECHOL OXIDASE//CATECHOLASE
5 11930 OXAMIDO BRIDGE//MU OXAMIDO BRIDGE//MARINE DRUG FOOD
6 33603 LEHRSTUHL ANORGAN CHEM 1//MOLECULE BASED MAGNETIC MATERIALS//NORMAL ALKYLATION
7 28837 GENERALIZED SPIN ORBITAL//GENERALIZED SPIN DENSITY FUNCTIONAL THEORY//THREE DIMENSIONAL SPIN STRUCTURE
8 18240 GRID TYPE COMPLEXES//CHIM SUPRAMOL//2 2 PYRIDYLQUINOLINE
9 25318 JIANGSU PROV FINE PETROCHEM TECHNOL//5 METHYL 1H PYRAZOLE 3 CARBOXYLIC ACID//3 5 PYRAZOLEDICARBOXYLIC ACID
10 26192 DONOR ACCEPTOR VIBRATIONAL COUPLING//HOMOGENEOUS OXIDATIVE COUPLING CATALYSTS//O BODY CENTERED ADAMANTANOID CAGE

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