Class information for:
Level 1: PROGRAMA DOCTORADO FISICOQUIM MOL//INTEGRAL APPROXIMATIONS ACCORDING TO MULLIKEN AND RUDENBERG//NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP NDDO

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
36370 82 30.8 43%


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
685 3       RESISTIVE SWITCHING//MEMRISTOR//RRAM 8241
4142 2             PROGRAMA DOCTORADO FISICOQUIM MOL//SELECTIVE REMOVAL OF ATOMS//SEMIEMPIRICAL CI METHODS 537
36370 1                   PROGRAMA DOCTORADO FISICOQUIM MOL//INTEGRAL APPROXIMATIONS ACCORDING TO MULLIKEN AND RUDENBERG//NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP NDDO 82

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 PROGRAMA DOCTORADO FISICOQUIM MOL address 1489544 5% 100% 4
2 INTEGRAL APPROXIMATIONS ACCORDING TO MULLIKEN AND RUDENBERG authKW 1117158 4% 100% 3
3 NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP NDDO authKW 1117158 4% 100% 3
4 ZERO DIFFERENTIAL OVERLAP ZDO authKW 1117158 4% 100% 3
5 EXTENDED HUCKEL THEORY EHT authKW 930960 6% 50% 5
6 PROGRAMA DR FISICOQUIM MOL address 744772 2% 100% 2
7 UNRESTRICTED AND RESTRICTED HARTREE FOCK CRYSTAL ORBITALS authKW 744772 2% 100% 2
8 UNRESTRICTED AND RESTRICTED HARTREE FOCK MOLECULAR ORBITALS authKW 744772 2% 100% 2
9 ZINDO 1 authKW 662015 5% 44% 4
10 ADEDRDA AND LGRGISL authKW 372386 1% 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 Spectroscopy 512 22% 0% 18
2 Chemistry, Physical 373 45% 0% 37
3 Mathematics, Interdisciplinary Applications 273 13% 0% 11
4 Physics, Atomic, Molecular & Chemical 138 17% 0% 14
5 Chemistry, Multidisciplinary 124 27% 0% 22
6 Chemistry, Medicinal 8 4% 0% 3
7 Chemistry, Analytical 5 5% 0% 4
8 Physics, Multidisciplinary 4 5% 0% 4
9 Chemistry, Inorganic & Nuclear 1 2% 0% 2
10 Pharmacology & Pharmacy 1 5% 0% 4

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 PROGRAMA DOCTORADO FISICOQUIM MOL 1489544 5% 100% 4
2 PROGRAMA DR FISICOQUIM MOL 744772 2% 100% 2
3 ECOL RECURSOS NAT REPUBL 275 372386 1% 100% 1
4 PROGRAM DOCTORADO FISICOQUIM MOL 372386 1% 100% 1
5 ESPE OSCOPIA VIBRAC 372384 2% 50% 2
6 ECOL URSOS NAT 186192 1% 50% 1
7 ESPECT VIBRAC 186192 1% 50% 1
8 VIBRAT SPECT 186184 6% 10% 5
9 UCI STAA 74476 1% 20% 1
10 MOL PHYS CHEM 49648 2% 7% 2

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 THE CHILEAN CHEMICAL SOCIETY 47507 16% 1% 13
2 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 4057 13% 0% 11
3 JOURNAL OF RAMAN SPECTROSCOPY 3158 9% 0% 7
4 JOURNAL OF THE CHINESE CHEMICAL SOCIETY 2850 7% 0% 6
5 THEORETICA CHIMICA ACTA 2416 4% 0% 3
6 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 1601 9% 0% 7
7 VIBRATIONAL SPECTROSCOPY 1322 4% 0% 3
8 ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES 980 5% 0% 4
9 CANADIAN JOURNAL OF ANALYTICAL SCIENCES AND SPECTROSCOPY 920 1% 0% 1
10 QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS 752 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 INTEGRAL APPROXIMATIONS ACCORDING TO MULLIKEN AND RUDENBERG 1117158 4% 100% 3 Search INTEGRAL+APPROXIMATIONS+ACCORDING+TO+MULLIKEN+AND+RUDENBERG Search INTEGRAL+APPROXIMATIONS+ACCORDING+TO+MULLIKEN+AND+RUDENBERG
2 NEGLECT OF DIATOMIC DIFFERENTIAL OVERLAP NDDO 1117158 4% 100% 3 Search NEGLECT+OF+DIATOMIC+DIFFERENTIAL+OVERLAP+NDDO Search NEGLECT+OF+DIATOMIC+DIFFERENTIAL+OVERLAP+NDDO
3 ZERO DIFFERENTIAL OVERLAP ZDO 1117158 4% 100% 3 Search ZERO+DIFFERENTIAL+OVERLAP+ZDO Search ZERO+DIFFERENTIAL+OVERLAP+ZDO
4 EXTENDED HUCKEL THEORY EHT 930960 6% 50% 5 Search EXTENDED+HUCKEL+THEORY+EHT Search EXTENDED+HUCKEL+THEORY+EHT
5 UNRESTRICTED AND RESTRICTED HARTREE FOCK CRYSTAL ORBITALS 744772 2% 100% 2 Search UNRESTRICTED+AND+RESTRICTED+HARTREE+FOCK+CRYSTAL+ORBITALS Search UNRESTRICTED+AND+RESTRICTED+HARTREE+FOCK+CRYSTAL+ORBITALS
6 UNRESTRICTED AND RESTRICTED HARTREE FOCK MOLECULAR ORBITALS 744772 2% 100% 2 Search UNRESTRICTED+AND+RESTRICTED+HARTREE+FOCK+MOLECULAR+ORBITALS Search UNRESTRICTED+AND+RESTRICTED+HARTREE+FOCK+MOLECULAR+ORBITALS
7 ZINDO 1 662015 5% 44% 4 Search ZINDO+1 Search ZINDO+1
8 ADEDRDA AND LGRGISL 372386 1% 100% 1 Search ADEDRDA+AND+LGRGISL Search ADEDRDA+AND+LGRGISL
9 AUXILIARY BASIS 372386 1% 100% 1 Search AUXILIARY+BASIS Search AUXILIARY+BASIS
10 BIO ANALYTES 372386 1% 100% 1 Search BIO+ANALYTES Search BIO+ANALYTES

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 KOCH, WHG , (2013) ON THE "WOLFSBERGHELMHOLZ CONJECTURE" OF "EXTENDED-HUCKEL THEORY".INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 113. ISSUE 10. P. 1568-1572 8 89% 0
2 GOMEZ-JERIA, JS , (2010) A DFT STUDY OF THE RELATIONSHIPS BETWEEN ELECTRONIC STRUCTURE AND PERIPHERAL BENZODIAZEPINE RECEPTOR AFFINITY IN A GROUP OF N,N-DIALKYL-2-PHENYLINDOL-3-YLGLYOXYLAMIDES.JOURNAL OF THE CHILEAN CHEMICAL SOCIETY. VOL. 55. ISSUE 3. P. 381-384 9 82% 0
3 GARRIDO, C , AGUAYO, T , CLAVIJO, E , GOMEZ-JERIA, JS , CAMPOS-VALLETTE, MM , (2013) THE EFFECT OF THE PH ON THE INTERACTION OF L-ARGININE WITH COLLOIDAL SILVER NANOPARTICLES. A RAMAN AND SERS STUDY.JOURNAL OF RAMAN SPECTROSCOPY. VOL. 44. ISSUE 8. P. 1105 -1110 13 43% 9
4 ALARCON, DA , GATICA-DIAZ, F , GOMEZ-JERIA, JS , (2013) MODELING THE RELATIONSHIPS BETWEEN MOLECULAR STRUCTURE AND INHIBITION OF VIRUSINDUCED CYTOPHATIC EFFECTS. ANTI-HIV-1 AND ANTI-H1N1 (INFLUENZA A) ACTIVITIES.JOURNAL OF THE CHILEAN CHEMICAL SOCIETY. VOL. 58. ISSUE 3. P. 1805-1813 13 43% 0
5 KOCH, WHG , (2013) EXPLICIT AND IMPLICIT MULTI-CENTER INTEGRATIONS.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 113. ISSUE 10. P. 1573-1583 7 78% 0
6 HERRERA, MA , JARA, GP , VILLARROEL, R , ALIAGA, AE , GOMEZ-JERIA, JS , CLAVIJO, E , GARRIDO, C , AGUAYO, T , VALLETTE, MMC , (2014) SURFACE ENHANCED RAMAN SCATTERING STUDY OF THE ANTIOXIDANT ALKALOID BOLDINE USING PRISMATIC SILVER NANOPARTICLES.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. VOL. 133. ISSUE . P. 591 -596 11 48% 1
7 AGUAYO, T , GARRIDO, C , CLAVIJO, RE , GOMEZ-JERIA, JS , MONASTERIO, CA , ICAZA, M , MORAGA, FE , VALLETTE, MMC , (2013) RAMAN AND SURFACE ENHANCED RAMAN SCATTERING OF A BLACK DYED SILK.JOURNAL OF RAMAN SPECTROSCOPY. VOL. 44. ISSUE 9. P. 1238-1245 12 38% 4
8 BARAHONA-URBINA, C , NUNEZ-GONZALEZ, S , GOMEZ-JERIA, JS , (2012) MODEL-BASED QUANTUM-CHEMICAL STUDY OF THE UPTAKE OF SOME POLYCHLORINATED POLLUTANT COMPOUNDS BY ZUCCHINI SUBSPECIES.JOURNAL OF THE CHILEAN CHEMICAL SOCIETY. VOL. 57. ISSUE 4. P. 1497-1503 12 32% 0
9 CARCAMO, JJ , ALIAGA, AE , CLAVIJO, E , GARRIDO, C , GOMEZ-JERIA, JS , CAMPOS-VALLETTE, MM , (2012) PROLINE AND HYDROXYPROLINE DEPOSITED ON SILVER NANOPARTICLES. A RAMAN, SERS AND THEORETICAL STUDY.JOURNAL OF RAMAN SPECTROSCOPY. VOL. 43. ISSUE 6. P. 750-755 9 39% 6
10 GOMEZ-JERIA, JS , OJEDA-VERGARA, M , (2003) PARAMETRIZATION OF THE ORIENTATIONAL EFFECTS IN THE DRUG-RECEPTOR INTERACTION.JOURNAL OF THE CHILEAN CHEMICAL SOCIETY. VOL. 48. ISSUE 4. P. 119 -124 6 60% 6

Classes with closest relation at Level 1


Rank Class id link
1 34891 SEMIEMPIRICAL CI METHODS//COUPLED QUANTUM MECHANICS GREEN FUNCTION//MOLETRONICS
2 35130 SELECTIVE REMOVAL OF ATOMS//99 AL2O3//CIENCIAS QUIMICAS FARMACEUTICAS ALIMENTOS
3 35868 BGAN//GABN//A1 HRXD
4 21107 SEMIEMPIRICAL MO THEORY//NDDO//DFTB
5 32653 1 3 HYDROGEN SHIFT//UV AND PE SPECTROSCOPY//1 3 OXATHIOLANE S DIOXIDE
6 20283 LIGAND ADDITIVITY//CORE ELECTRON IONIZATION ENERGY//CPFECO2I
7 30839 2 AMINO ETHYLISOTHIOURONIUM BRHBR//ADAMANTYL CELL VIABILITY//ANALOGUE HOECHST 33342
8 12296 THEORY EXPERIMENT CORRELATION//QUANTUM CHEMICAL EVALUATION//QUANTUM CHEMICAL CONSIDERATION
9 37106 MESOSCOPIC MODELLING//CHARGE INDUCED DEFECTS//ANODE WORK FUNCTION
10 1059 SERS//SILVER COLLOID//SURFACE ENHANCED RAMAN SCATTERING

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