Class information for:
Level 1: GRP COMPUTAT PHARMACEUT CHEM//D GAUSS//DFT BLYP

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
33979 118 28.8 68%


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
2 4 MATERIALS SCIENCE, MULTIDISCIPLINARY//PHYSICS, APPLIED//PHYSICS, CONDENSED MATTER 2836879
12 3       DIAMOND AND RELATED MATERIALS//GRAPHENE//CARBON NANOTUBES 130454
1651 2             BORON NITRIDE NANOTUBES//HYDROGEN STORAGE//BORON NITRIDE 6887
33979 1                   GRP COMPUTAT PHARMACEUT CHEM//D GAUSS//DFT BLYP 118

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 GRP COMPUTAT PHARMACEUT CHEM address 1330847 5% 86% 6
2 D GAUSS authKW 582245 3% 75% 3
3 DFT BLYP authKW 582245 3% 75% 3
4 WOMEN ARTS SCI EDUC address 566184 14% 14% 16
5 3 AZIDO 2 3 DIDEOXYTHYMIDINE AZT authKW 517552 2% 100% 2
6 INVEST FIS DIFUS address 517552 2% 100% 2
7 TOTAL DIPOLE MOMENT authKW 517552 2% 100% 2
8 BIOPHYS BRANCH address 414037 3% 40% 4
9 FULLEROPYRROLIDINE authKW 295730 7% 14% 8
10 LMCE address 269551 4% 21% 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 Spectroscopy 525 19% 0% 22
2 Physics, Condensed Matter 471 34% 0% 40
3 Chemistry, Physical 36 14% 0% 17
4 Physics, Atomic, Molecular & Chemical 31 8% 0% 9
5 Chemistry, Multidisciplinary 18 11% 0% 13
6 Chemistry, Organic 15 7% 0% 8
7 Nanoscience & Nanotechnology 11 4% 0% 5
8 Chemistry, Inorganic & Nuclear 9 4% 0% 5
9 Instruments & Instrumentation 8 3% 0% 4
10 Electrochemistry 6 3% 0% 3

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 GRP COMPUTAT PHARMACEUT CHEM 1330847 5% 86% 6
2 WOMEN ARTS SCI EDUC 566184 14% 14% 16
3 INVEST FIS DIFUS 517552 2% 100% 2
4 BIOPHYS BRANCH 414037 3% 40% 4
5 LMCE 269551 4% 21% 5
6 CREA INITIAT ELE ON EMISS SOURCE 258776 1% 100% 1
7 DIPARTEMENT CHIM 258776 1% 100% 1
8 NAT PROD BIO ACT LASNABIO 258776 1% 100% 1
9 SCIGRP COMPUTAT PHARMACEUT CHEM 258776 1% 100% 1
10 SCILMCE 258776 1% 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 COMPUTATIONAL AND THEORETICAL NANOSCIENCE 117617 32% 1% 38
2 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 7006 18% 0% 21
3 MEDICINAL CHEMISTRY 1176 2% 0% 2
4 ASIAN JOURNAL OF CHEMISTRY 654 5% 0% 6
5 RESULTS IN PHYSICS 640 1% 0% 1
6 INTERNATIONAL JOURNAL OF ENVIRONMENT AND POLLUTION 610 2% 0% 2
7 SENSOR LETTERS 539 2% 0% 2
8 CHINESE JOURNAL OF PHYSICS 436 2% 0% 2
9 ARABIAN JOURNAL OF CHEMISTRY 346 1% 0% 1
10 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 243 1% 0% 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 D GAUSS 582245 3% 75% 3 Search D+GAUSS Search D+GAUSS
2 DFT BLYP 582245 3% 75% 3 Search DFT+BLYP Search DFT+BLYP
3 3 AZIDO 2 3 DIDEOXYTHYMIDINE AZT 517552 2% 100% 2 Search 3+AZIDO+2+3+DIDEOXYTHYMIDINE+AZT Search 3+AZIDO+2+3+DIDEOXYTHYMIDINE+AZT
4 TOTAL DIPOLE MOMENT 517552 2% 100% 2 Search TOTAL+DIPOLE+MOMENT Search TOTAL+DIPOLE+MOMENT
5 FULLEROPYRROLIDINE 295730 7% 14% 8 Search FULLEROPYRROLIDINE Search FULLEROPYRROLIDINE
6 1 2 4 OXADIAZOLE 5 AMINE 258776 1% 100% 1 Search 1+2+4+OXADIAZOLE+5+AMINE Search 1+2+4+OXADIAZOLE+5+AMINE
7 1 2 DITHIOLE 3 THIONE DERIVATIVES 258776 1% 100% 1 Search 1+2+DITHIOLE+3+THIONE+DERIVATIVES Search 1+2+DITHIOLE+3+THIONE+DERIVATIVES
8 3 METHYL 5 PYRAZOLONE MP 258776 1% 100% 1 Search 3+METHYL+5+PYRAZOLONE+MP Search 3+METHYL+5+PYRAZOLONE+MP
9 ACETYLATION AND CELLULOSE 258776 1% 100% 1 Search ACETYLATION+AND+CELLULOSE Search ACETYLATION+AND+CELLULOSE
10 ALKALI SUBSTITUTION 258776 1% 100% 1 Search ALKALI+SUBSTITUTION Search ALKALI+SUBSTITUTION

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 EL-MANSY, MAM , ISMAIL, MM , (2015) ON THE SPECTROSCOPIC ANALYSES OF 3-(4-HYDROXY-1-METHYL-2-OXO-1,2-DIHYDRO-QUINOLIN-3-YL)-2-NITRO-3-OXO-PROPIONIC ACID (HMQNP).SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 135. ISSUE . P. 704 -709 9 82% 0
2 EL-MANSY, MAM , YAHIA, IS , (2014) SPECTROSCOPIC NOTES OF METHYL RED (MR) DYE.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 130. ISSUE . P. 59 -63 9 82% 0
3 EL-MANSY, MAM , EL-NAHASS, MM , (2014) ON THE SPECTROSCOPIC ANALYSES OF PERYLENE-66.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 130. ISSUE . P. 568 -573 7 100% 0
4 IBRAHIM, MA , GAWAD, AEA , (2012) SPECTROSCOPIC ANALYSES OF CHITOSAN INTERACTIONS WITH AMINO ACIDS.JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE. VOL. 9. ISSUE 8. P. 1120 -1124 14 47% 5
5 ELHAES, H , MOAWAD, H , IBRAHIM, M , (2012) SPECTROSCOPIC ANALYSES OF THE CHROMIUM INTERACTION WITH PROTEIN.JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE. VOL. 9. ISSUE 8. P. 1036-1039 9 69% 2
6 ELHAES, H , OSMAN, O , IBRAHIM, M , (2012) INTERACTION OF NANO STRUCTURE MATERIAL WITH HEME MOLECULE: MODELLING APPROACH.JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE. VOL. 9. ISSUE 7. P. 901-905 11 55% 3
7 ELHAES, H , IBRAHIM, M , (2013) FULLERENE AS SENSOR FOR HALIDES: MODELING APPROACH.JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE. VOL. 10. ISSUE 9. P. 2026-2028 9 56% 1
8 NASHY, EHA , OSMAN, O , MAHMOUD, AA , IBRAHIM, M , (2012) MOLECULAR SPECTROSCOPIC STUDY FOR SUGGESTED MECHANISM OF CHROME TANNED LEATHER.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 88. ISSUE . P. 171-176 7 47% 20
9 EL-OKR, M , ATTALLA, M , IBRAHIM, M , (2011) INTERACTION OF SMALL MOLECULES WITH DIATOMIC ZNO: DENSITY FUNCTIONAL THEORY INVESTIGATION.SENSOR LETTERS. VOL. 9. ISSUE 5. P. 1750-1754 9 38% 1
10 EL-MANSY, MAM , EL-BANA, MS , FOUAD, SS , (2017) F ON THE SPECTROSCOPIC ANALYSES OF 3-HYDROXY-1-PHENYL-PYRIDAZIN-6(2H)ONE (HPHP): A COMPARATIVE EXPERIMENTAL AND COMPUTATIONAL STUDY.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 176. ISSUE . P. 99 -105 10 29% 0

Classes with closest relation at Level 1


Rank Class id link
1 36385 QOM BRANCH//LANGEVIN DYNAMIC//0 CARBON NANOTUBE
2 34891 SEMIEMPIRICAL CI METHODS//COUPLED QUANTUM MECHANICS GREEN FUNCTION//MOLETRONICS
3 18895 AB INITIO MO STUDY//DIPEPTIDE WATER COMPLEX//GIOCOMMS
4 11095 MED NUCL RADIOBIOL//GRP SCI RADIAT//GRP RADIAT SCI
5 1977 FT RAMAN//HOMO LUMO//NBO
6 4224 FULLERENOL//FULLERENES//CARBOXYFULLERENE
7 4767 CARBON NANOTUBES//SINGLE WALLED CARBON NANOTUBES//SPONTANEOUS ENCAPSULATION
8 36866 IGUALADA TECH ENGN EUETII//LEATHER FINISHING//ECOLOGIC WAX EMULSIONS
9 30563 ERDOS SZEKERES THEOREM//EMPTY CONVEX POLYGONS//ERDOS SZEKERES PROBLEM
10 12296 THEORY EXPERIMENT CORRELATION//QUANTUM CHEMICAL EVALUATION//QUANTUM CHEMICAL CONSIDERATION

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