Class information for:
Level 1: THEORY EXPERIMENT CORRELATION//QUANTUM CHEMICAL EVALUATION//QUANTUM CHEMICAL CONSIDERATION

Basic class information

Class id #P Avg. number of
references
Database coverage
of references
12296 916 21.1 36%



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
12296 1                   THEORY EXPERIMENT CORRELATION//QUANTUM CHEMICAL EVALUATION//QUANTUM CHEMICAL CONSIDERATION 916

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 THEORY EXPERIMENT CORRELATION authKW 252628 1% 63% 12
2 QUANTUM CHEMICAL EVALUATION authKW 233338 1% 100% 7
3 QUANTUM CHEMICAL CONSIDERATION authKW 166670 1% 100% 5
4 LUMINESCENCE MOL STRUCT address 158818 1% 53% 9
5 R THIAZOLIDINE 2 THIONE 4 CARBOXYLIC ACID authKW 138890 1% 83% 5
6 CYCLIC KETENIMINES authKW 100002 0% 100% 3
7 WERK BURGHAUSEN address 96072 1% 41% 7
8 C STN address 88888 0% 67% 4
9 ELECTRON MICROSCOPY SEM TEM authKW 75000 0% 75% 3
10 1 2 PROPADIENE authKW 66668 0% 100% 2

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 2569 36% 0% 332
2 Chemistry, Multidisciplinary 1797 30% 0% 275
3 Chemistry, Organic 705 14% 0% 127
4 Chemistry, Inorganic & Nuclear 684 11% 0% 97
5 Physics, Atomic, Molecular & Chemical 164 7% 0% 60
6 Mathematics, Interdisciplinary Applications 141 3% 0% 30
7 Spectroscopy 46 3% 0% 24
8 Crystallography 25 2% 0% 19
9 Chemistry, Medicinal 11 2% 0% 17
10 Polymer Science 8 2% 0% 22

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 LUMINESCENCE MOL STRUCT 158818 1% 53% 9
2 WERK BURGHAUSEN 96072 1% 41% 7
3 C STN 88888 0% 67% 4
4 WATER TREATMENT PLANT 66664 0% 50% 4
5 PHYSICOCHIM MODELISAT 53330 0% 40% 4
6 SORPT PROBLEM ENDOECOL 44444 0% 67% 2
7 SORPT PROBLEMS ENDOECOL 42346 2% 8% 15
8 COMPUTAT INFORMAT SCI 37497 0% 38% 3
9 CALCUL MODELIRAT LENS 33334 0% 100% 1
10 ENGELS TECHNOL FILIAL 33334 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 28711 11% 1% 99
2 RUSSIAN JOURNAL OF GENERAL CHEMISTRY 5833 4% 1% 34
3 JOURNAL OF STRUCTURAL CHEMISTRY 5242 3% 1% 31
4 JOURNAL OF COMPUTATIONAL CHEMISTRY 3367 3% 0% 25
5 LIGHT METAL AGE 3332 0% 10% 1
6 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2656 3% 0% 30
7 AFINIDAD 2126 1% 1% 11
8 ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES 1959 2% 0% 19
9 PHYSICS OF LOW-DIMENSIONAL STRUCTURES 1928 1% 1% 7
10 COMPUTATIONAL POLYMER SCIENCE 1585 0% 5% 1

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 THEORY EXPERIMENT CORRELATION 252628 1% 63% 12 Search THEORY+EXPERIMENT+CORRELATION Search THEORY+EXPERIMENT+CORRELATION
2 QUANTUM CHEMICAL EVALUATION 233338 1% 100% 7 Search QUANTUM+CHEMICAL+EVALUATION Search QUANTUM+CHEMICAL+EVALUATION
3 QUANTUM CHEMICAL CONSIDERATION 166670 1% 100% 5 Search QUANTUM+CHEMICAL+CONSIDERATION Search QUANTUM+CHEMICAL+CONSIDERATION
4 R THIAZOLIDINE 2 THIONE 4 CARBOXYLIC ACID 138890 1% 83% 5 Search R+THIAZOLIDINE+2+THIONE+4+CARBOXYLIC+ACID Search R+THIAZOLIDINE+2+THIONE+4+CARBOXYLIC+ACID
5 CYCLIC KETENIMINES 100002 0% 100% 3 Search CYCLIC+KETENIMINES Search CYCLIC+KETENIMINES
6 ELECTRON MICROSCOPY SEM TEM 75000 0% 75% 3 Search ELECTRON+MICROSCOPY+SEM+TEM Search ELECTRON+MICROSCOPY+SEM+TEM
7 1 2 PROPADIENE 66668 0% 100% 2 Search 1+2+PROPADIENE Search 1+2+PROPADIENE
8 ALPHA PHENYLCINNAMIC ACID STEREOISOMERS 66668 0% 100% 2 Search ALPHA+PHENYLCINNAMIC+ACID+STEREOISOMERS Search ALPHA+PHENYLCINNAMIC+ACID+STEREOISOMERS
9 C 13 NMR SPECTRAL ASSIGNMENTS 66668 0% 100% 2 Search C+13+NMR+SPECTRAL+ASSIGNMENTS Search C+13+NMR+SPECTRAL+ASSIGNMENTS
10 CONCERTED AND RADICAL PATHWAYS 66668 0% 100% 2 Search CONCERTED+AND+RADICAL+PATHWAYS Search CONCERTED+AND+RADICAL+PATHWAYS

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 PANKRATOV, AN , (2005) QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS IN THE SERIES OF DIAZONIUM CATIONS, INTERMEDIATE PRODUCTS IN THE SYNTHESIS OF ANALYTICAL FORMS AND DYES.JOURNAL OF ANALYTICAL CHEMISTRY. VOL. 60. ISSUE 2. P. 130-136 22 81% 2
2 PANKRATOV, AN , (2005) QUANTITATIVE RELATIONS FOR ESTIMATION OF THERMODYNAMIC AND MOLECULAR PROPERTIES OF PYRIDINES AND 2,2 '-BIPYRIDINES.KHIMIYA GETEROTSIKLICHESKIKH SOEDINENII. VOL. . ISSUE 3. P. 391 -402 18 95% 3
3 PANKRATOV, AN , DREVKO, BI , (2004) AN APPROACH TO QUANTUM CHEMICAL CONSIDERATION OF "HYDRIDE" TRANSFER REACTIONS.JOURNAL OF THE SERBIAN CHEMICAL SOCIETY. VOL. 69. ISSUE 6. P. 431-439 20 87% 3
4 PANKRATOV, AN , DREVKO, BI , (2005) QUANTUM-CHEMICAL STUDY OF "HYDRIDE" MOBILITY IN THE MOLECULES OF CHALCOGENOPYRANES.KHIMIYA GETEROTSIKLICHESKIKH SOEDINENII. VOL. . ISSUE 9. P. 1305-1311 19 86% 0
5 PANKRATOV, AN , UCHAEVA, IM , (2003) THERMODYNAMIC PROPERTIES AND DIPOLE MOMENTS OF MOLECULES OF ANTIMONY COMPOUNDS: QUANTUM-CHEMICAL ESTIMATION.RUSSIAN JOURNAL OF INORGANIC CHEMISTRY. VOL. 48. ISSUE 1. P. 83-88 21 81% 0
6 PANKRATOV, AN , UCHAEVA, IM , (2002) THERMODYNAMIC AND MOLECULAR CHARACTERISTICS OF ARSENIC COMPOUNDS: A QUANTUM-CHEMICAL ESTIMATE.RUSSIAN JOURNAL OF INORGANIC CHEMISTRY. VOL. 47. ISSUE 3. P. 386-392 19 90% 1
7 PANKRATOV, AN , SHALABAY, AV , (2003) BENZENETHIOLS: PK(A) VALUES MEASURED IN SOLUTIONS AGAINST QUANTUM CHEMICALLY COMPUTED GASEOUS-PHASE PROTON AFFINITIES.PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS. VOL. 178. ISSUE 5. P. 1007-1019 16 100% 2
8 PANKRATOV, AN , UCHAEVA, IM , (2002) THERMODYNAMIC PROPERTIES AND MOLECULAR DIPOLE MOMENTS OF ANTIMONY COMPOUNDS FROM QUANTUM CHEMICAL EVALUATIONS.PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS. VOL. 177. ISSUE 4. P. 791-802 18 90% 3
9 PANKRATOV, AN , UCHAEVA, IM , (2004) THERMODYNAMIC PROPERTIES OF BISMUTH COMPOUNDS AND THE CONFIGURATION OF (C6H5)(3)BIX2 (X = CL, ONO2) MOLECULES FROM QUANTUM-CHEMICAL DATA.RUSSIAN JOURNAL OF INORGANIC CHEMISTRY. VOL. 49. ISSUE 9. P. 1403-1408 16 94% 1
10 CSANKO, K , ILLES, L , FELFOLDI, K , KISS, JT , SIPOS, P , PALINKO, I , (2011) C-H CENTER DOT CENTER DOT CENTER DOT S HYDROGEN BONDS AS THE ORGANISING FORCE IN 2,3-THIENYL- AND PHENYL- OR 2,3-DITHIENYL-SUBSTITUTED PROPENOIC ACID AGGREGATES STUDIED BY THE COMBINATION OF FT-IR SPECTROSCOPY AND COMPUTATIONS.JOURNAL OF MOLECULAR STRUCTURE. VOL. 993. ISSUE 1-3. P. 259 -263 13 93% 2

Classes with closest relation at Level 1



Rank Class id link
1 21107 SEMIEMPIRICAL MO THEORY//NDDO//DFTB
2 26240 ANHARMONIC CALCULATION//CHEM PROBLEMS ECOL//QUANTUM SELF ASSEMBLY OF PHOTOSYNTHETIC CENTERS
3 19542 CARBOXYLATE HYDRATION//POTENTIAL ENERGY SURFACE AB INITIO CALCULATIONS//VIA CHALCOPHILES
4 25866 CYCLOPENTADIENONE//THIONE TO THIOL REARRANGEMENT//O S DIALKYL DITHIOCARBONATE
5 36370 PROGRAMA DOCTORADO FISICOQUIM MOL//INTEGRAL APPROXIMATIONS ACCORDING TO MULLIKEN AND RUDENBERG//NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP NDDO
6 23260 CYCLIC ALLENES//PHOTO DEHYDRO DIELS ALDER REACTION//DEHYDRO DIELS ALDER REACTION
7 34891 SEMIEMPIRICAL CI METHODS//COUPLED QUANTUM MECHANICS GREEN FUNCTION//MOLETRONICS
8 37420 DIELECTRONIC RESPONSE//FERROCENE DERIVATIVE C 60 CYCLOADDUCT//FULLERENE ADDUCT
9 22062 3S 5R 6R 6 ACETYLAMIDOPENICILLANIC ACID//BETA LACTAM COMPOUNDS//BIOL VET BIOQUIM BIOL MOLEC
10 34224 SONAR SCI ENGN TECHNOL BIOTECH SYST//ANODIC GENERATION//BROMOCHLORINATION

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