Class information for:
Level 1: COMPUTAT CHEM//COMPUTAT QUANTUM CHEM//METAL METAL BONDING

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
5181 1661 33.9 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
169 2             PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//CHEMISTRY, PHYSICAL//JOURNAL OF PHYSICAL CHEMISTRY A 22392
5181 1                   COMPUTAT CHEM//COMPUTAT QUANTUM CHEM//METAL METAL BONDING 1661

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 COMPUTAT CHEM address 495954 12% 13% 207
2 COMPUTAT QUANTUM CHEM address 452961 8% 18% 140
3 METAL METAL BONDING authKW 284090 3% 34% 45
4 METAL CARBONYLS authKW 218241 3% 25% 47
5 ADV COMPUTAT address 184008 3% 19% 52
6 COMPLETE BASIS SET authKW 177065 1% 57% 17
7 MOE THEORET ENVIRONM CHEM address 172579 1% 72% 13
8 MOE THEORET CHEM ENVIRONM address 167629 1% 40% 23
9 DENSITY FUNCTIONAL THEORY authKW 94702 18% 2% 297
10 METAL THIOCARBONYLS authKW 91910 0% 100% 5

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 8917 49% 0% 809
2 Physics, Atomic, Molecular & Chemical 4964 22% 0% 370
3 Chemistry, Inorganic & Nuclear 3313 17% 0% 275
4 Chemistry, Multidisciplinary 1914 24% 0% 396
5 Mathematics, Interdisciplinary Applications 689 5% 0% 84
6 Chemistry, Organic 361 8% 0% 137
7 Crystallography 272 4% 0% 68
8 Spectroscopy 147 3% 0% 54
9 Computer Science, Interdisciplinary Applications 60 2% 0% 38
10 Engineering, Petroleum 17 0% 0% 7

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 COMPUTAT CHEM 495954 12% 13% 207
2 COMPUTAT QUANTUM CHEM 452961 8% 18% 140
3 ADV COMPUTAT 184008 3% 19% 52
4 MOE THEORET ENVIRONM CHEM 172579 1% 72% 13
5 MOE THEORET CHEM ENVIRONM 167629 1% 40% 23
6 ENVIRONM MOL ELE OMAGNET PHYS 32819 0% 36% 5
7 AF GAUSE NEW ANTIBIOT 18382 0% 100% 1
8 BEHSHAHIR UNIT 18382 0% 100% 1
9 CATALYSIS MEMBRANE SYST GRP 18382 0% 100% 1
10 CHIM THEOR SPECT MOL LACTHESMO 18382 0% 100% 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 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 87088 14% 2% 232
2 PROGRESS IN REACTION KINETICS AND MECHANISM 14325 1% 5% 17
3 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 11025 5% 1% 82
4 JOURNAL OF PHYSICAL CHEMISTRY A 4233 5% 0% 84
5 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 3887 1% 1% 15
6 THEORETICAL CHEMISTRY ACCOUNTS 3786 1% 1% 24
7 STRUCTURAL CHEMISTRY 3747 1% 1% 23
8 JOURNAL OF STRUCTURAL CHEMISTRY 2165 2% 0% 27
9 NEW JOURNAL OF CHEMISTRY 1818 2% 0% 31
10 CHEMICAL PHYSICS LETTERS 1507 4% 0% 64

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 METAL METAL BONDING 284090 3% 34% 45 Search METAL+METAL+BONDING Search METAL+METAL+BONDING
2 METAL CARBONYLS 218241 3% 25% 47 Search METAL+CARBONYLS Search METAL+CARBONYLS
3 COMPLETE BASIS SET 177065 1% 57% 17 Search COMPLETE+BASIS+SET Search COMPLETE+BASIS+SET
4 DENSITY FUNCTIONAL THEORY 94702 18% 2% 297 Search DENSITY+FUNCTIONAL+THEORY Search DENSITY+FUNCTIONAL+THEORY
5 METAL THIOCARBONYLS 91910 0% 100% 5 Search METAL+THIOCARBONYLS Search METAL+THIOCARBONYLS
6 CBS Q METHOD 82716 0% 75% 6 Search CBS+Q+METHOD Search CBS+Q+METHOD
7 FLUOROBORYLENE 55146 0% 100% 3 Search FLUOROBORYLENE Search FLUOROBORYLENE
8 IRON IRON BONDING 55146 0% 100% 3 Search IRON+IRON+BONDING Search IRON+IRON+BONDING
9 LOCALIZED HYDROGEN BONDING ANALYSIS 55146 0% 100% 3 Search LOCALIZED+HYDROGEN+BONDING+ANALYSIS Search LOCALIZED+HYDROGEN+BONDING+ANALYSIS
10 BORONYL 41358 0% 75% 3 Search BORONYL Search BORONYL

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 ZHANG, Z , LI, QS , XIE, Y , KING, RB , SCHAEFER, HF , (2010) BINUCLEAR NICKEL CARBONYL THIOCARBONYLS: METAL-METAL MULTIPLE BONDS VERSUS FOUR-ELECTRON DONOR THIOCARBONYL GROUPS.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 114. ISSUE 6. P. 2365 -2375 31 97% 1
2 DUAN, LL , PENG, B , LUO, Q , LI, QS , XIE, YM , KING, RB , (2014) DIVERSE BONDING MODES AND COUPLING REACTIONS OF THE BORONYL LIGAND IN BINUCLEAR CYCLOPENTADIENYL COBALT DERIVATIVES: ANALOGIES WITH ISOELECTRONIC BINUCLEAR CYCLOPENTADIENYLIRON CARBONYLS.JOURNAL OF ORGANOMETALLIC CHEMISTRY. VOL. 751. ISSUE . P. 662 -669 31 86% 1
3 ZHANG, Z , LI, QS , XIE, YM , KING, RB , (2011) UNSATURATION IN BINUCLEAR CYCLOPENTADIENYLIRON CARBONYL THIOCARBONYLS: FOUR-ELECTRON DONOR BRIDGING THIOCARBONYL GROUPS VERSUS METAL-METAL MULTIPLE BONDS.INORGANICA CHIMICA ACTA. VOL. 375. ISSUE 1. P. 193-204 31 89% 1
4 GONG, SD , LUO, Q , LI, QS , XIE, YM , KING, RB , SCHAEFER, HF , (2015) MAJOR DIFFERENCES BETWEEN TRIFLUOROPHOSPHINE AND CARBONYL LIGANDS IN BINUCLEAR CYCLOPENTADIENYLIRON COMPLEXES.NEW JOURNAL OF CHEMISTRY. VOL. 39. ISSUE 5. P. 3708 -3718 32 71% 1
5 ZHANG, Z , LI, QS , XIE, YM , KING, RB , SCHAEFER, HF , (2010) STABILIZATION OF BINUCLEAR CHROMIUM CARBONYLS BY SUBSTITUTION OF THIOCARBONYL GROUPS FOR CARBONYL GROUPS: NEARLY LINEAR STRUCTURES FOR CR-2(CS)(2)(CO)(9).JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 114. ISSUE 1. P. 486 -497 27 96% 0
6 XU, B , LI, QS , XIE, YM , KING, RB , (2016) BINUCLEAR RHENIUM CARBONYL NITROSYLS RELATED TO DICOBALT OCTACARBONYL AND THEIR DECARBONYLATION PRODUCTS.JOURNAL OF MOLECULAR MODELING. VOL. 22. ISSUE 7. P. - 26 87% 0
7 GONG, SD , WANG, CY , LI, QS , XIE, YM , KING, RB , (2012) UNSATURATION IN BINUCLEAR IRON TRIFLUOROPHOSPHINE CARBONYL DERIVATIVES: COMPARISON WITH BINARY IRON CARBONYLS.JOURNAL OF COORDINATION CHEMISTRY. VOL. 65. ISSUE 14. P. 2459 -2477 28 88% 1
8 GONG, SD , WU, Y , LI, QS , XIE, YM , KING, RB , (2013) COMPARISON OF THE DIFLUOROMETHYLENE AND CARBONYL LIGANDS IN BINUCLEAR IRON COMPLEXES.JOURNAL OF FLUORINE CHEMISTRY. VOL. 151. ISSUE . P. 12-19 28 85% 1
9 FAN, QC , FENG, H , SUN, WG , ZENG, Y , XIE, YM , KING, RB , (2012) OPEN CHAINS VERSUS CLOSED RINGS: COMPARISON OF BINUCLEAR BUTADIENE COBALT CARBONYLS WITH CYCLIC HYDROCARBON ANALOGS.INORGANICA CHIMICA ACTA. VOL. 388. ISSUE . P. 22 -32 27 90% 0
10 YANG, HQ , LI, QS , XIE, YM , KING, RB , SCHAEFER, HF , (2010) THE QUEST FOR TRIFLUOROPHOSPHINE AS A BRIDGING LIGAND IN HOMOLEPTIC BINUCLEAR AND TETRANUCLEAR COBALT COMPLEXES.MOLECULAR PHYSICS. VOL. 108. ISSUE 19-20. P. 2477-2489 28 90% 2

Classes with closest relation at Level 1


Rank Class id link
1 9374 SHANGHAI MOL CATALYSTS INNOVAT MAT//LASER CHEM//BORON CARBONYL
2 4950 HALL ATWATER S CHEM//BASIS SET EXTRAPOLATION//CORRELATION CONSISTENT BASIS SETS
3 15296 ASYNCHRONOUS CONCERTED REACTION//BISTRIFLUOROMETHANESULFONYLMETHANE//CILC IRC
4 1977 FT RAMAN//HOMO LUMO//NBO
5 25056 ALO//ALUMINUM OXIDE CLUSTERS//STATE STATE SEPARATION
6 36385 QOM BRANCH//LANGEVIN DYNAMIC//0 CARBON NANOTUBE
7 15958 NITROGEN CLUSTERS//POLYNITROGEN//LOKER
8 9267 CHIM THEOR PL//GRP CHIM PHYS THEOR STRUCT//JOURNAL OF CHEMICAL THEORY AND COMPUTATION
9 21797 AGOSTIC INTERACTIONS//HEXAMETHYL COMPLEXES//MATRIX INFRARED SPECTRA
10 969 QUANTUM THEORY GRP//OPTIMIZED EFFECTIVE POTENTIAL//INHOMOGENEOUS ELECTRON LIQUID

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