Class information for:
Level 1: CARBOXYLATE HYDRATION//POTENTIAL ENERGY SURFACE AB INITIO CALCULATIONS//VIA CHALCOPHILES

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
19542 500 33.8 41%


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
19542 1                   CARBOXYLATE HYDRATION//POTENTIAL ENERGY SURFACE AB INITIO CALCULATIONS//VIA CHALCOPHILES 500

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 CARBOXYLATE HYDRATION authKW 122139 0% 100% 2
2 POTENTIAL ENERGY SURFACE AB INITIO CALCULATIONS authKW 122139 0% 100% 2
3 VIA CHALCOPHILES authKW 122139 0% 100% 2
4 3 FLUOROISONICOTINIC ACID authKW 61070 0% 100% 1
5 AB INITION authKW 61070 0% 100% 1
6 ACI FORMS OF PRIMARY NITRAMINES authKW 61070 0% 100% 1
7 ACID PALMITATES authKW 61070 0% 100% 1
8 CARBOXYLATE DYAD authKW 61070 0% 100% 1
9 CH3NH3 authKW 61070 0% 100% 1
10 CH3PH3 authKW 61070 0% 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 3327 54% 0% 269
2 Physics, Atomic, Molecular & Chemical 1061 19% 0% 95
3 Chemistry, Multidisciplinary 980 30% 0% 150
4 Mathematics, Interdisciplinary Applications 532 8% 0% 39
5 Mathematical & Computational Biology 42 2% 0% 10
6 Chemistry, Organic 30 5% 0% 26
7 Chemistry, Medicinal 28 3% 0% 15
8 Biology 22 3% 0% 13
9 Chemistry, Inorganic & Nuclear 21 3% 0% 17
10 Crystallography 16 2% 0% 11

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 CHEM WORKS MOLEC MODELING GRP 61070 0% 100% 1
2 HENRY AVE OOLHOUSE LANE 61070 0% 100% 1
3 ORSAY BIOL PHYS CHIM 61070 0% 100% 1
4 MOLEC ENGN THERMODYNAM CHEM ENGN 10177 0% 17% 1
5 WATER OID CHEM 10177 0% 17% 1
6 CHEM MOLEC DESIGN 8723 0% 14% 1
7 CHEM 152 DAVEY 6105 0% 10% 1
8 BIOMOLEC ENGN MIDORI KU 5087 0% 8% 1
9 PHARMACEUT SCI MINATO KU 4096 1% 2% 3
10 BIOCHEM PROT 2653 0% 4% 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 19333 12% 1% 60
2 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 7906 8% 0% 38
3 JOURNAL OF PHYSICAL CHEMISTRY 4555 9% 0% 43
4 THEORETICA CHIMICA ACTA 4393 2% 1% 10
5 JOURNAL OF COMPUTATIONAL CHEMISTRY 3209 4% 0% 18
6 THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 3134 1% 1% 4
7 JOURNAL OF MOLECULAR GRAPHICS 2492 1% 1% 3
8 JOURNAL OF STRUCTURAL CHEMISTRY 1954 3% 0% 14
9 CURRENT TOPICS IN BIOENERGETICS 1525 0% 3% 1
10 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 1232 9% 0% 44

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 CARBOXYLATE HYDRATION 122139 0% 100% 2 Search CARBOXYLATE+HYDRATION Search CARBOXYLATE+HYDRATION
2 POTENTIAL ENERGY SURFACE AB INITIO CALCULATIONS 122139 0% 100% 2 Search POTENTIAL+ENERGY+SURFACE+AB+INITIO+CALCULATIONS Search POTENTIAL+ENERGY+SURFACE+AB+INITIO+CALCULATIONS
3 VIA CHALCOPHILES 122139 0% 100% 2 Search VIA+CHALCOPHILES Search VIA+CHALCOPHILES
4 3 FLUOROISONICOTINIC ACID 61070 0% 100% 1 Search 3+FLUOROISONICOTINIC+ACID Search 3+FLUOROISONICOTINIC+ACID
5 AB INITION 61070 0% 100% 1 Search AB+INITION Search AB+INITION
6 ACI FORMS OF PRIMARY NITRAMINES 61070 0% 100% 1 Search ACI+FORMS+OF+PRIMARY+NITRAMINES Search ACI+FORMS+OF+PRIMARY+NITRAMINES
7 ACID PALMITATES 61070 0% 100% 1 Search ACID+PALMITATES Search ACID+PALMITATES
8 CARBOXYLATE DYAD 61070 0% 100% 1 Search CARBOXYLATE+DYAD Search CARBOXYLATE+DYAD
9 CH3NH3 61070 0% 100% 1 Search CH3NH3 Search CH3NH3
10 CH3PH3 61070 0% 100% 1 Search CH3PH3 Search CH3PH3

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 SCHEINER, S , (2009) INGREDIENTS NECESSARY FOR PROTON TRANSFER IN ENZYMES.ISRAEL JOURNAL OF CHEMISTRY. VOL. 49. ISSUE 2. P. 139-147 31 32% 0
2 CHU, CH , HO, JJ , (1997) THEORETICAL STUDIES OF PROTON TRANSFER REACTIONS - ENERGY BARRIERS AND THE MARCUS EQUATION.JOURNAL OF THE CHINESE CHEMICAL SOCIETY. VOL. 44. ISSUE 5. P. 455-462 21 60% 0
3 CHU, CH , HO, JJ , (1995) EFFECT OF FORMALDEHYDE SUBSTITUENTS ON POTENTIAL-ENERGY PROFILES FOR PROTON-TRANSFER IN [ABCO-H-OCXH](+).JOURNAL OF PHYSICAL CHEMISTRY. VOL. 99. ISSUE 45. P. 16590-16596 19 68% 8
4 KAR, T , SCHEINER, S , (1995) PROTON-TRANSFER IN H5O2+ AND H3O2- AN EXTERNAL RESTRAINING FORCE.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. . ISSUE . P. 567-575 19 68% 3
5 KAR, T , SCHEINER, S , (1995) PROTON AND LITHIUM ION TRANSFER BETWEEN 2 WATER-MOLECULES WITH AN EXTERNAL RESTRAINING FORCE.JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. VOL. 117. ISSUE 4. P. 1344-1351 20 56% 11
6 VOITYUK, AA , BLIZNYUK, AA , (1992) QUANTUM-CHEMICAL STUDY OF MOLECULAR ION COMPLEXES WITH HYDROGEN-BONDS (REVIEW).JOURNAL OF STRUCTURAL CHEMISTRY. VOL. 33. ISSUE 6. P. 899 -924 34 37% 1
7 DUAN, XF , SCHEINER, S , (1992) FUNDAMENTAL-ASPECTS OF LITHIUM ION TRANSFER.JOURNAL OF PHYSICAL CHEMISTRY. VOL. 96. ISSUE 20. P. 7971 -7975 21 58% 5
8 CHU, CH , HO, JJ , (1995) CALCULATED EFFECTS OF FORMALDEHYDE SUBSTITUENTS ON PROTON-TRANSFER IN (H2CO-H-OCX(2))(+).JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. VOL. 117. ISSUE 3. P. 1076-1082 17 59% 11
9 LUTH, K , SCHEINER, S , (1992) CALCULATION OF BARRIERS TO PROTON-TRANSFER USING VARIATIONS OF MULTICONFIGURATION SELF-CONSISTENT-FIELD METHODS .2. CONFIGURATION-INTERACTION.JOURNAL OF CHEMICAL PHYSICS. VOL. 97. ISSUE 10. P. 7519-7527 12 80% 21
10 SCHEINER, S , (1985) THEORETICAL-STUDIES OF PROTON TRANSFERS.ACCOUNTS OF CHEMICAL RESEARCH. VOL. 18. ISSUE 6. P. 174-180 18 58% 222

Classes with closest relation at Level 1


Rank Class id link
1 33775 ANORGAN ANALYT CHEM INNRAIN 524//BRUECKNER DOUBLES METHOD//HYDROGENATED FURANS
2 14403 KETOSTEROID ISOMERASE//LOW BARRIER HYDROGEN BOND//JULIUS SPOKOJNY BIOORGAN CHEM
3 26982 HYBRIDIZATION DISPLACEMENT CHARGE//ATOMIC ORBITAL HYBRIDIZATION//BOYS LMO
4 11444 SECOND ORDER MOLLER PLESSET PERTURBATION THEORY MP2//ATOMIC OXYGEN RADICAL ANION O//ATOMIC OXYGEN RADICAL ANION
5 4654 WATER CLUSTERS//WATER DIMER//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
6 12296 THEORY EXPERIMENT CORRELATION//QUANTUM CHEMICAL EVALUATION//QUANTUM CHEMICAL CONSIDERATION
7 7776 POLARIZABLE CONTINUUM MODEL//SOLVATION ANALYSIS//POLARIZABLE EMBEDDING
8 36737 HEMIACETAL REACTION//2 3 4 6 TETRAMETHYL ALPHA D GLUCOSE//ANHYDROUS LACTULOSE
9 15253 LINK ATOM//QM MM//EXTREMELY LOCALIZED MOLECULAR ORBITALS
10 21511 BINARY LIQUID SYSTEM//HETEROASSOCIATES//N N DIMETHYL 1 ADAMANTAMINE HYDROGEN FLUORIDE

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