Class information for:
Level 1: CRYSTAL CODE//IPREM UMR5254//EQUIPE CHIM PHYS

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
23747 336 38.5 59%


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
352 3       CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY//LIQUID ALLOYS//LOWER MANTLE 35147
921 2             LOWER MANTLE//BAYER GEO//HIGH PRESSURE 11156
23747 1                   CRYSTAL CODE//IPREM UMR5254//EQUIPE CHIM PHYS 336

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 CRYSTAL CODE authKW 903432 4% 76% 13
2 IPREM UMR5254 address 659697 4% 52% 14
3 EQUIPE CHIM PHYS address 498198 7% 22% 25
4 NORDSTRANDITE authKW 408950 2% 75% 6
5 INCTMN UFPB address 378658 1% 83% 5
6 EXCELLENCE NIS NANOSTRUCT INTER ES SUR address 297182 3% 30% 11
7 CRYSTAL PROGRAM authKW 290809 1% 80% 4
8 EXCELLENCE NANOSTRUCT INTER ES SUR ES N address 290809 1% 80% 4
9 ALL ELECTRON GAUSSIAN BASIS SETS authKW 272635 1% 100% 3
10 PERIODIC CALCULATIONS authKW 264363 2% 36% 8

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 Mineralogy 5271 18% 0% 60
2 Chemistry, Physical 1514 45% 0% 151
3 Soil Science 1287 12% 0% 40
4 Physics, Atomic, Molecular & Chemical 1127 24% 0% 79
5 Geochemistry & Geophysics 203 7% 0% 25
6 Mathematics, Interdisciplinary Applications 140 5% 0% 17
7 Materials Science, Multidisciplinary 105 15% 0% 52
8 Spectroscopy 88 5% 0% 17
9 Nanoscience & Nanotechnology 74 6% 0% 20
10 Geosciences, Multidisciplinary 65 6% 0% 21

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 IPREM UMR5254 659697 4% 52% 14
2 EQUIPE CHIM PHYS 498198 7% 22% 25
3 INCTMN UFPB 378658 1% 83% 5
4 EXCELLENCE NIS NANOSTRUCT INTER ES SUR 297182 3% 30% 11
5 EXCELLENCE NANOSTRUCT INTER ES SUR ES N 290809 1% 80% 4
6 COMBUSTIVEIS MAT 141991 1% 31% 5
7 UMR5254 115003 3% 14% 9
8 PMMP 108181 1% 24% 5
9 DIPARTIMENTO CHIM IFM 107742 9% 4% 29
10 PETROL MODELISAT MAT PROC 96931 1% 27% 4

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 PHYSICS AND CHEMISTRY OF MINERALS 11417 5% 1% 18
2 CLAYS AND CLAY MINERALS 8097 4% 1% 15
3 JOURNAL OF COMPUTATIONAL CHEMISTRY 4273 5% 0% 17
4 ACTA GEODYNAMICA ET GEOMATERIALIA 3582 1% 1% 4
5 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2343 5% 0% 17
6 THEORETICAL CHEMISTRY ACCOUNTS 1598 2% 0% 7
7 AMERICAN MINERALOGIST 1344 3% 0% 10
8 JOURNAL OF CHEMICAL PHYSICS 1045 10% 0% 32
9 JOURNAL OF PHYSICAL CHEMISTRY C 1010 6% 0% 19
10 JOURNAL OF RAMAN SPECTROSCOPY 995 2% 0% 8

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 CRYSTAL CODE 903432 4% 76% 13 Search CRYSTAL+CODE Search CRYSTAL+CODE
2 NORDSTRANDITE 408950 2% 75% 6 Search NORDSTRANDITE Search NORDSTRANDITE
3 CRYSTAL PROGRAM 290809 1% 80% 4 Search CRYSTAL+PROGRAM Search CRYSTAL+PROGRAM
4 ALL ELECTRON GAUSSIAN BASIS SETS 272635 1% 100% 3 Search ALL+ELECTRON+GAUSSIAN+BASIS+SETS Search ALL+ELECTRON+GAUSSIAN+BASIS+SETS
5 PERIODIC CALCULATIONS 264363 2% 36% 8 Search PERIODIC+CALCULATIONS Search PERIODIC+CALCULATIONS
6 CHARGE AND SPIN DENSITY MAPS 181757 1% 100% 2 Search CHARGE+AND+SPIN+DENSITY+MAPS Search CHARGE+AND+SPIN+DENSITY+MAPS
7 CRYSTALLINE ORBITALS 181757 1% 100% 2 Search CRYSTALLINE+ORBITALS Search CRYSTALLINE+ORBITALS
8 EXPLOITATION OF SYMMETRY 181757 1% 100% 2 Search EXPLOITATION+OF+SYMMETRY Search EXPLOITATION+OF+SYMMETRY
9 IN SITU REDOX PRECIPITATION 181757 1% 100% 2 Search IN+SITU+REDOX+PRECIPITATION Search IN+SITU+REDOX+PRECIPITATION
10 ADSORPTION ENERGETICS 121170 1% 67% 2 Search ADSORPTION+ENERGETICS Search ADSORPTION+ENERGETICS

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 MASCHIO, L , KIRTMAN, B , SALUSTRO, S , ZICOVICH-WILSON, CM , ORLANDO, R , DOVESI, R , (2013) RAMAN SPECTRUM OF PYROPE GARNET. A QUANTUM MECHANICAL SIMULATION OF FREQUENCIES, INTENSITIES, AND ISOTOPE SHIFTS.JOURNAL OF PHYSICAL CHEMISTRY A. VOL. 117. ISSUE 45. P. 11464-11471 26 90% 3
2 DOVESI, R , ORLANDO, R , ERBA, A , ZICOVICH-WILSON, CM , CIVALLERI, B , CASASSA, S , MASCHIO, L , FERRABONE, M , DE LA PIERRE, M , D'ARCO, P , ET AL (2014) CRYSTAL14: A PROGRAM FOR THE AB INITIO INVESTIGATION OF CRYSTALLINE SOLIDS.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 114. ISSUE 19. P. 1287 -1317 37 27% 230
3 PRENCIPE, M , MASCHIO, L , KIRTMAN, B , SALUSTRO, S , ERBA, A , DOVESI, R , (2014) RAMAN SPECTRUM OF NAALSI2O6 JADEITE. A QUANTUM MECHANICAL SIMULATION.JOURNAL OF RAMAN SPECTROSCOPY. VOL. 45. ISSUE 8. P. 703 -709 26 81% 5
4 DE LA PIERRE, M , BELMONTE, D , (2016) AB INITIO INVESTIGATION OF MAJORITE AND PYROPE GARNETS: LATTICE DYNAMICS AND VIBRATIONAL SPECTRA.AMERICAN MINERALOGIST. VOL. 101. ISSUE 1-2. P. 162 -174 41 51% 0
5 BAIMA, J , FERRABONE, M , ORLANDO, R , ERBA, A , DOVESI, R , (2016) THERMODYNAMICS AND PHONON DISPERSION OF PYROPE AND GROSSULAR SILICATE GARNETS FROM AB INITIO SIMULATIONS.PHYSICS AND CHEMISTRY OF MINERALS. VOL. 43. ISSUE 2. P. 137 -149 31 50% 3
6 DOVESI, R , DE LA PIERRE, M , FERRARI, AM , PASCALE, F , MASCHIO, L , ZICOVICH-WILSON, CM , (2011) THE IR VIBRATIONAL PROPERTIES OF SIX MEMBERS OF THE GARNET FAMILY: A QUANTUM MECHANICAL AB INITIO STUDY.AMERICAN MINERALOGIST. VOL. 96. ISSUE 11-12. P. 1787 -1798 28 65% 7
7 ERBA, A , (2016) THE INTERNAL-STRAIN TENSOR OF CRYSTALS FOR NUCLEAR-RELAXED ELASTIC AND PIEZOELECTRIC CONSTANTS: ON THE FULL EXPLOITATION OF ITS SYMMETRY FEATURES.PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 18. ISSUE 20. P. 13984 -13992 26 58% 0
8 ERBA, A , RUGGIERO, MT , KORTER, TM , DOVESI, R , (2015) PIEZO-OPTIC TENSOR OF CRYSTALS FROM QUANTUM-MECHANICAL CALCULATIONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 143. ISSUE 14. P. - 24 52% 4
9 DE LA PIERRE, M , CARTERET, C , MASCHIO, L , ANDRE, E , ORLANDO, R , DOVESI, R , (2014) THE RAMAN SPECTRUM OF CACO3 POLYMORPHS CALCITE AND ARAGONITE: A COMBINED EXPERIMENTAL AND COMPUTATIONAL STUDY.JOURNAL OF CHEMICAL PHYSICS. VOL. 140. ISSUE 16. P. - 23 55% 6
10 DEMICHELIS, R , CATTI, M , DOVESI, R , (2009) STRUCTURE AND STABILITY OF THE AL(OH)(3) POLYMORPHS DOYLEITE AND NORDSTRANDITE: A QUANTUM MECHANICAL AB INITIO STUDY WITH THE CRYSTAL06 CODE.JOURNAL OF PHYSICAL CHEMISTRY C. VOL. 113. ISSUE 16. P. 6785-6791 17 85% 8

Classes with closest relation at Level 1


Rank Class id link
1 26605 DELTA ALOOH//BURTITE//HYDROUS MINERAL
2 20666 VESUVIANITE//GEOCHEM MINERAL PETROG//SYNCHROTRON HIGH RESOLUTION POWDER X RAY DIFFRACTION HRPXRD
3 37296 BA2CU3O4CL2//LAYERED COPPER OXYCHLORIDE//MAX PLANCK ARBEITSGRP ELEKTRONENSYST
4 8915 STAUROLITE//AMERICAN MINERALOGIST//MINERALOGY
5 19763 SODIUM ALUMINATE SOLUTION//BAYER LIQUOR//BAYER PROCESS
6 28756 PIEZOOPTIC EFFECT//UKRAINIAN JOURNAL OF PHYSICAL OPTICS//INDICATIVE SURFACES
7 4566 ELECTRON REPULSION INTEGRALS//DENSITY FITTING//INCREMENTAL SCHEME
8 19101 NORSETHITE//NITRATINE//WITHERITE
9 6784 PHYS SOLIDE THEOR//ELECTRON PHONON HYBRIDIZATION//KNBO3
10 515 LOWER MANTLE//POST PEROVSKITE//BAYER GEO

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