Class information for:
Level 1: FUKUI FUNCTION//CONCEPTUAL DFT//EENHEID ALGEMENE CHEM

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
3482 1974 43.7 58%


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
3482 1                   FUKUI FUNCTION//CONCEPTUAL DFT//EENHEID ALGEMENE CHEM 1974

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 FUKUI FUNCTION authKW 550396 5% 38% 93
2 CONCEPTUAL DFT authKW 429309 2% 58% 48
3 EENHEID ALGEMENE CHEM address 367337 2% 51% 47
4 MAXIMUM HARDNESS PRINCIPLE authKW 296707 1% 71% 27
5 WETEN PEN address 289480 3% 30% 63
6 QUIM TEOR COMPUTAC QTC address 282759 2% 52% 35
7 CONCEPTUAL DENSITY FUNCTIONAL THEORY authKW 262015 1% 71% 24
8 DUAL DESCRIPTOR authKW 232642 1% 79% 19
9 CHEMICAL HARDNESS authKW 225520 2% 42% 35
10 ELECTROPHILICITY authKW 217535 3% 26% 55

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 Physics, Atomic, Molecular & Chemical 18216 38% 0% 751
2 Chemistry, Physical 16253 59% 0% 1173
3 Chemistry, Multidisciplinary 2948 27% 0% 526
4 Mathematics, Interdisciplinary Applications 2131 8% 0% 155
5 Education, Scientific Disciplines 290 2% 0% 41
6 Computer Science, Interdisciplinary Applications 161 3% 0% 61
7 Chemistry, Organic 137 5% 0% 108
8 Chemistry, Inorganic & Nuclear 114 4% 0% 75
9 Crystallography 21 2% 0% 31
10 Biophysics 14 2% 0% 43

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 EENHEID ALGEMENE CHEM 367337 2% 51% 47
2 WETEN PEN 289480 3% 30% 63
3 QUIM TEOR COMPUTAC QTC 282759 2% 52% 35
4 QTC 116441 1% 47% 16
5 ALGC 110059 1% 32% 22
6 K GUMINSKI THEORET CHEM 72986 1% 20% 24
7 COMPUTAT STRUCT PHYS CHEM 67477 1% 36% 12
8 EENHEID ALGEMENE CHEM ALGC 65060 1% 19% 22
9 DESARROLLO NANOCIENCIAS NANOTECNOL 50614 0% 55% 6
10 WETEN PEN EENHEID ALGEMENE CHEM 49493 0% 80% 4

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 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 28747 7% 1% 144
2 JOURNAL OF PHYSICAL CHEMISTRY A 27297 12% 1% 230
3 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 24309 7% 1% 134
4 THEORETICAL CHEMISTRY ACCOUNTS 9796 2% 2% 42
5 JOURNAL OF CHEMICAL SCIENCES 8312 2% 2% 30
6 JOURNAL OF MOLECULAR MODELING 6483 2% 1% 39
7 COMPUTATIONAL AND THEORETICAL CHEMISTRY 6390 2% 1% 31
8 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 3718 1% 2% 16
9 CHEMICAL PHYSICS LETTERS 3700 5% 0% 108
10 STRUCTURE AND BONDING 3676 1% 2% 12

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 FUKUI FUNCTION 550396 5% 38% 93 Search FUKUI+FUNCTION Search FUKUI+FUNCTION
2 CONCEPTUAL DFT 429309 2% 58% 48 Search CONCEPTUAL+DFT Search CONCEPTUAL+DFT
3 MAXIMUM HARDNESS PRINCIPLE 296707 1% 71% 27 Search MAXIMUM+HARDNESS+PRINCIPLE Search MAXIMUM+HARDNESS+PRINCIPLE
4 CONCEPTUAL DENSITY FUNCTIONAL THEORY 262015 1% 71% 24 Search CONCEPTUAL+DENSITY+FUNCTIONAL+THEORY Search CONCEPTUAL+DENSITY+FUNCTIONAL+THEORY
5 DUAL DESCRIPTOR 232642 1% 79% 19 Search DUAL+DESCRIPTOR Search DUAL+DESCRIPTOR
6 CHEMICAL HARDNESS 225520 2% 42% 35 Search CHEMICAL+HARDNESS Search CHEMICAL+HARDNESS
7 ELECTROPHILICITY 217535 3% 26% 55 Search ELECTROPHILICITY Search ELECTROPHILICITY
8 ELECTRONEGATIVITY 166596 3% 17% 65 Search ELECTRONEGATIVITY Search ELECTRONEGATIVITY
9 REACTION ELECTRONIC FLUX 159086 1% 86% 12 Search REACTION+ELECTRONIC+FLUX Search REACTION+ELECTRONIC+FLUX
10 GLOBAL HARDNESS 143959 1% 85% 11 Search GLOBAL+HARDNESS Search GLOBAL+HARDNESS

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 GEERLINGS, P , DE PROFT, F , LANGENAEKER, W , (2003) CONCEPTUAL DENSITY FUNCTIONAL THEORY.CHEMICAL REVIEWS. VOL. 103. ISSUE 5. P. 1793 -1873 359 65% 1801
2 CHATTARAJ, PK , GIRI, S , DULEY, S , (2011) UPDATE 2 OF: ELECTROPHILICITY INDEX.CHEMICAL REVIEWS. VOL. 111. ISSUE 2. P. PR43 -PR75 266 49% 71
3 CHATTARAJ, PK , SARKAR, U , ROY, DR , (2006) ELECTROPHILICITY INDEX.CHEMICAL REVIEWS. VOL. 106. ISSUE 6. P. 2065 -2091 178 49% 578
4 CHATTARAJ, PK , ROY, DR , (2007) UPDATE 1 OF: ELECTROPHILICITY INDEX.CHEMICAL REVIEWS. VOL. 107. ISSUE 9. P. PR46 -PR74 217 49% 86
5 GEERLINGS, P , DE PROFT, F , (2008) CONCEPTUAL DFT: THE CHEMICAL RELEVANCE OF HIGHER RESPONSE FUNCTIONS.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 10. ISSUE 21. P. 3028 -3042 90 84% 123
6 PAL, S , (2012) DESCRIPTORS AS PROBES FOR INTER-MOLECULAR INTERACTIONS AND EXTERNAL PERTURBATION.APPLICATIONS OF DENSITY FUNCTIONAL THEORY TO CHEMICAL REACTIVITY. VOL. 149. ISSUE . P. 131 -158 98 83% 0
7 PEREZ, P , CHAMORRO, E , AYERS, PW , (2008) UNIVERSAL MATHEMATICAL IDENTITIES IN DENSITY FUNCTIONAL THEORY: RESULTS FROM THREE DIFFERENT SPIN-RESOLVED REPRESENTATIONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 128. ISSUE 20. P. - 111 74% 31
8 PAN, S , SOLA, M , CHATTARAJ, PK , (2013) ON THE VALIDITY OF THE MAXIMUM HARDNESS PRINCIPLE AND THE MINIMUM ELECTROPHILICITY PRINCIPLE DURING CHEMICAL REACTIONS.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 117. ISSUE 8. P. 1843-1852 71 91% 22
9 LIU, SB , (2009) CONCEPTUAL DENSITY FUNCTIONAL THEORY AND SOME RECENT DEVELOPMENTS.ACTA PHYSICO-CHIMICA SINICA. VOL. 25. ISSUE 3. P. 590 -600 78 74% 148
10 TORRENT-SUCARRAT, M , DE PROFT, F , GEERLINGS, P , AYERS, PW , (2008) DO THE LOCAL SOFTNESS AND HARDNESS INDICATE THE SOFTEST AND HARDEST REGIONS OF A MOLECULE?.CHEMISTRY-A EUROPEAN JOURNAL. VOL. 14. ISSUE 28. P. 8652 -8660 79 84% 26

Classes with closest relation at Level 1


Rank Class id link
1 14140 ELECTRON LOCALIZATION FUNCTION//23 CYCLOADDITION//CHIM THEOR
2 5252 POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY
3 28507 CNRS ESA 7086//CORE VALENCE PARTITIONING//B3LYP AND X ALPHA CALCULATIONS
4 15296 ASYNCHRONOUS CONCERTED REACTION//BISTRIFLUOROMETHANESULFONYLMETHANE//CILC IRC
5 23499 GROUP EQUIVALENTS//SIMULATION OF MASS SPECTRA//BOND EQUIVALENTS
6 20281 LINEAR FREE ENERGY RELATIONSHIPS//INTRINSIC BARRIERS//ELECTROFUGALITY
7 26982 HYBRIDIZATION DISPLACEMENT CHARGE//ATOMIC ORBITAL HYBRIDIZATION//BOYS LMO
8 17097 SELF CONSISTENT CLUSTER EMBEDDING CALCULATION//FREE CLUSTER CALCULATION//ORBITAL FREE DENSITY FUNCTIONAL THEORY
9 15746 MOLECULAR INFORMATION CHANNELS//MOLECULAR COMMUNICATION SYSTEMS//ORBITAL COMMUNICATION THEORY
10 20516 SLATER SUM//GENERAL RELATIVISTIC THOMAS FERMI TREATMENT//ICRANET

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