Class information for:
Level 1: FT RAMAN//HOMO LUMO//NBO

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
1977 2399 42.2 56%


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
292 3       CRYSTALLOGRAPHY//ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE//ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 41672
2627 2             FT RAMAN//HOMO LUMO//NBO 3540
1977 1                   FT RAMAN//HOMO LUMO//NBO 2399

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 FT RAMAN authKW 1993056 16% 40% 390
2 HOMO LUMO authKW 1244020 8% 49% 198
3 NBO authKW 1139304 13% 29% 311
4 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY journal 815771 43% 6% 1020
5 PHYS ENGG address 779264 3% 94% 65
6 VIBRATIONAL SPECTRA authKW 665982 13% 17% 310
7 VIBRATIONAL ANALYSIS authKW 565075 6% 32% 139
8 HFT TECHNOL address 562254 2% 94% 47
9 FT IR AND FT RAMAN SPECTRA authKW 513598 2% 78% 52
10 DFT authKW 509450 28% 6% 669

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 85224 51% 1% 1232
2 Chemistry, Physical 4506 30% 0% 728
3 Physics, Multidisciplinary 340 7% 0% 172
4 Physics, Atomic, Molecular & Chemical 271 6% 0% 132
5 Chemistry, Multidisciplinary 132 8% 0% 192
6 Crystallography 116 3% 0% 61
7 Chemistry, Analytical 18 3% 0% 68
8 Chemistry, Inorganic & Nuclear 9 2% 0% 44
9 Mathematics, Interdisciplinary Applications 3 1% 0% 18
10 Computer Science, Interdisciplinary Applications -0 1% 0% 15

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 PHYS ENGG 779264 3% 94% 65
2 HFT TECHNOL 562254 2% 94% 47
3 SPE OPHYS 169674 1% 67% 20
4 PHYS SCI HUMANITIES 153626 1% 93% 13
5 PG PHYS 150480 5% 11% 110
6 SORGUN VOCAT 136347 1% 71% 15
7 ST PETERS HIGHER EDUC 106051 0% 83% 10
8 A KELESOGLU EDUC 102409 1% 62% 13
9 MOL SPECT S 85900 0% 75% 9
10 POST PL PHYS 54293 0% 53% 8

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 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 815771 43% 6% 1020
2 JOURNAL OF MOLECULAR STRUCTURE 100535 17% 2% 398
3 INDIAN JOURNAL OF PURE & APPLIED PHYSICS 42637 5% 3% 128
4 VIBRATIONAL SPECTROSCOPY 17444 2% 2% 59
5 JOURNAL OF RAMAN SPECTROSCOPY 15447 4% 1% 84
6 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 4206 3% 1% 62
7 INDIAN JOURNAL OF PHYSICS AND PROCEEDINGS OF THE INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE-PART B 2757 0% 4% 5
8 ASIAN JOURNAL OF CHEMISTRY 1522 2% 0% 42
9 JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY 1437 0% 1% 11
10 INDIAN JOURNAL OF PHYSICS 1395 1% 1% 15

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 FT RAMAN 1993056 16% 40% 390 Search FT+RAMAN Search FT+RAMAN
2 HOMO LUMO 1244020 8% 49% 198 Search HOMO+LUMO Search HOMO+LUMO
3 NBO 1139304 13% 29% 311 Search NBO Search NBO
4 VIBRATIONAL SPECTRA 665982 13% 17% 310 Search VIBRATIONAL+SPECTRA Search VIBRATIONAL+SPECTRA
5 VIBRATIONAL ANALYSIS 565075 6% 32% 139 Search VIBRATIONAL+ANALYSIS Search VIBRATIONAL+ANALYSIS
6 FT IR AND FT RAMAN SPECTRA 513598 2% 78% 52 Search FT+IR+AND+FT+RAMAN+SPECTRA Search FT+IR+AND+FT+RAMAN+SPECTRA
7 DFT 509450 28% 6% 669 Search DFT Search DFT
8 MEP 360359 4% 29% 99 Search MEP Search MEP
9 FT IR 350264 14% 8% 347 Search FT+IR Search FT+IR
10 PED 335975 3% 39% 67 Search PED Search PED

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 GOVINDARAJAN, M , KARABACAK, M , SUVITHA, A , PERIANDY, S , (2012) FT-IR, FT-RAMAN, AB INITIO, HF AND DFT STUDIES, NBO, HOMO-LUMO AND ELECTRONIC STRUCTURE CALCULATIONS ON 4-CHLORO-3-NITROTOLUENE.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 89. ISSUE . P. 137-148 32 94% 29
2 KOSE, E , KARABACAK, M , BARDAK, F , ATAC, A , (2016) SPECTRAL INVESTIGATIONS OF 2,5-DIFLUOROANILINE BY USING MASS, ELECTRONIC ABSORPTION, NMR, AND VIBRATIONAL SPECTRA.JOURNAL OF MOLECULAR STRUCTURE. VOL. 1123. ISSUE . P. 284 -299 47 62% 0
3 GOVINDARAJAN, M , KARABACAK, M , PERIANDY, S , TANUJA, D , (2012) SPECTROSCOPIC (FT-IR, FT-RAMAN, UV AND NMR) INVESTIGATION AND NLO, HOMO-LUMO, NBO ANALYSIS OF ORGANIC 2,4,5-TRICHLOROANILINE.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 97. ISSUE . P. 231 -245 32 86% 23
4 PATHAK, SK , SRIVASTAVA, R , SACHAN, AK , PRASAD, O , SINHA, L , ASIRI, AM , KARABACAK, M , (2015) EXPERIMENTAL (FT-IR, FT-RAMAN, UV AND NMR) AND QUANTUM CHEMICAL STUDIES ON MOLECULAR STRUCTURE, SPECTROSCOPIC ANALYSIS, NLO, NBO AND REACTIVITY DESCRIPTORS OF 3,5-DIFLUOROANILINE.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 135. ISSUE . P. 283 -295 31 74% 13
5 YILMAZ, M , AYDIN, B , DOGAN, O , DERELI, O , (2017) MOLECULAR STRUCTURE AND SPECTRAL INVESTIGATIONS OF 3,5-DI-TERT-BUTYL-O-BENZOQUINONE.JOURNAL OF MOLECULAR STRUCTURE. VOL. 1128. ISSUE . P. 345 -354 30 88% 0
6 SARAVANAN, S , BALACHANDRAN, V , VISWANATHAN, K , (2014) SPECTROSCOPIC INVESTIGATION OF 4-NITRO-3-(TRIFLUOROMETHYL)ANILINE, NBO ANALYSIS WITH 4-NITRO-3-(TRICHLOROMETHYL)ANILINE AND 4-NITRO-3-(TRIBROMOMETHYL)ANILINE.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 121. ISSUE . P. 685 -697 35 76% 1
7 MUTHU, S , RAJAMANI, T , KARABACAK, M , ASIRI, AM , (2014) VIBRATIONAL AND UV SPECTRA, FIRST ORDER HYPERPOLARIZABILITY, NBO AND HOMO-LUMO ANALYSIS OF 4-CHLORO-N-(2-METHYL-2,3-DIHYDROINDOL-1-YL)-3-SULFAMOYL-BENZAMIDE.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 122. ISSUE . P. 1 -14 29 88% 5
8 GOVINDARAJAN, M , KARABACAK, M , (2012) ANALYSIS OF VIBRATIONAL SPECTRA (FT-IR AND FT-RAMAN) AND NONLINEAR OPTICAL PROPERTIES OF ORGANIC 2-CHLORO-P-XYLENE.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 94. ISSUE . P. 36-47 33 83% 4
9 GOVINDARAJAN, M , KARABACAK, M , PERIANDY, S , XAVIER, S , (2012) VIBRATIONAL SPECTROSCOPIC STUDIES, NLO, HOMO-LUMO AND ELECTRONIC STRUCTURE CALCULATIONS OF ALPHA,ALPHA,ALPHA-TRICHLOROTOLUENE USING HF AND DFT.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 94. ISSUE . P. 53-64 29 91% 7
10 RAMALINGAM, S , PERIANDY, S , NARAYANAN, B , MOHAN, S , (2010) FTIR AND FTRAMAN SPECTROSCOPIC INVESTIGATION OF 2-BROMO-4-METHYLANILINE USING AB INITIO HF AND DFT CALCULATIONS.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 76. ISSUE 1. P. 84 -92 35 74% 25

Classes with closest relation at Level 1


Rank Class id link
1 28797 MOL SPECT BIOPHYS//2 3 5 6 TETRACHLOROANILINE//2 6 DIHYDROXY PYRIDINE HYDROCHLORIDE
2 5181 COMPUTAT CHEM//COMPUTAT QUANTUM CHEM//METAL METAL BONDING
3 25137 HUNGARIAN SCI STRUCT CHEM GRP//BENZENE RING DEFORMATION//V 2 BARRIER
4 32423 STRUCT ORGAN ANAL//AB INITIO FORCE FIELD//AZANION
5 29985 CATEDRA QUIM GEN//CATEDRA FISICOQUIM 1//COORDINATION BIDENTATE
6 29841 SCI CHEM JONAN KU//GEN EDUC HIGASHI KU//TECHNOL ELECT HIGASHI KU
7 34008 N PYRROLIDINOBENZYL BENZAMIDE//PIPERIDINOBENZYLUREA//N N TRIETHYLENEDIAMINE BIS 3 CARBOXYPROPENAMIDE
8 33979 GRP COMPUTAT PHARMACEUT CHEM//D GAUSS//DFT BLYP
9 25498 CIENCIAS EXATAS BIOL//MELAMINIUM//MELAMINE COMPLEXES
10 26982 HYBRIDIZATION DISPLACEMENT CHARGE//ATOMIC ORBITAL HYBRIDIZATION//BOYS LMO

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