Class information for:
Level 1: TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS//COMBINATORIAL COMPUTATIONAL CHEMISTRY//TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS METHOD

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
33074 129 28.1 64%


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
505 3       ZHURNAL NAUCHNOI I PRIKLADNOI FOTOGRAFII//SOLID STATE IONICS//SOLID ELECTROLYTE 21947
2949 2             REAXFF//DEFECT DISORDER//TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS 2678
33074 1                   TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS//COMBINATORIAL COMPUTATIONAL CHEMISTRY//TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS METHOD 129

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 TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS authKW 2045845 9% 79% 11
2 COMBINATORIAL COMPUTATIONAL CHEMISTRY authKW 739714 4% 63% 5
3 TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS METHOD authKW 710129 2% 100% 3
4 QUANTUM CHEMICAL MOLECULAR DYNAMICS authKW 710123 5% 50% 6
5 NEW IND CREAT HATCHERY address 514939 39% 4% 50
6 ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS SIMULATION authKW 473420 2% 100% 2
7 QUANTUM CHEMICAL MOLECULAR DYNAMICS QCMD CALCULATION authKW 473420 2% 100% 2
8 UA QCMD authKW 426075 2% 60% 3
9 ENGN MOL CHEM ENGN AOBA KU address 315612 2% 67% 2
10 AKI KU address 305206 11% 9% 14

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 478 41% 0% 53
2 Physics, Applied 288 32% 0% 41
3 Materials Science, Coatings & Films 274 11% 0% 14
4 Physics, Condensed Matter 111 17% 0% 22
5 Chemistry, Applied 109 9% 0% 12
6 Engineering, Chemical 69 11% 0% 14
7 Chemistry, Multidisciplinary 52 16% 0% 20
8 Engineering, Mechanical 47 7% 0% 9
9 Physics, Atomic, Molecular & Chemical 35 8% 0% 10
10 Computer Science, Interdisciplinary Applications 19 4% 0% 5

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 NEW IND CREAT HATCHERY 514939 39% 4% 50
2 ENGN MOL CHEM ENGN AOBA KU 315612 2% 67% 2
3 AKI KU 305206 11% 9% 14
4 CHEM MAT ALIVE ACT REACT 236710 1% 100% 1
5 MULTIPHYS COMPUTAT SCI 236710 1% 100% 1
6 ATE ENGN 118354 1% 50% 1
7 BIO RECYCLING 78902 1% 33% 1
8 FRACTURE RELIABIL 76677 7% 4% 9
9 CHIM MAT VIVANTS ACT 59176 1% 25% 1
10 CORP MFG ENGN 56350 4% 5% 5

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 LUBRICATION ENGINEERING 3772 3% 0% 4
2 JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS 2478 14% 0% 18
3 COMPUTERS & CHEMISTRY 2172 2% 0% 3
4 CATALYSIS TODAY 1486 6% 0% 8
5 JOURNAL OF JAPANESE SOCIETY OF TRIBOLOGISTS 1202 2% 0% 3
6 APPLIED SURFACE SCIENCE 1131 10% 0% 13
7 REVIEWS IN CHEMICAL ENGINEERING 923 1% 0% 1
8 JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY 706 2% 0% 2
9 ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG 673 2% 0% 2
10 MEDICINAL CHEMISTRY RESEARCH 666 2% 0% 3

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 TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS 2045845 9% 79% 11 Search TIGHT+BINDING+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS Search TIGHT+BINDING+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS
2 COMBINATORIAL COMPUTATIONAL CHEMISTRY 739714 4% 63% 5 Search COMBINATORIAL+COMPUTATIONAL+CHEMISTRY Search COMBINATORIAL+COMPUTATIONAL+CHEMISTRY
3 TIGHT BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS METHOD 710129 2% 100% 3 Search TIGHT+BINDING+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS+METHOD Search TIGHT+BINDING+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS+METHOD
4 QUANTUM CHEMICAL MOLECULAR DYNAMICS 710123 5% 50% 6 Search QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS Search QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS
5 ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS SIMULATION 473420 2% 100% 2 Search ACCELERATED+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS+SIMULATION Search ACCELERATED+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS+SIMULATION
6 QUANTUM CHEMICAL MOLECULAR DYNAMICS QCMD CALCULATION 473420 2% 100% 2 Search QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS+QCMD+CALCULATION Search QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS+QCMD+CALCULATION
7 UA QCMD 426075 2% 60% 3 Search UA+QCMD Search UA+QCMD
8 14TH GROUP ELEMENTS 236710 1% 100% 1 Search 14TH+GROUP+ELEMENTS Search 14TH+GROUP+ELEMENTS
9 4 F ATOMIC ORBITAL 236710 1% 100% 1 Search 4+F+ATOMIC+ORBITAL Search 4+F+ATOMIC+ORBITAL
10 ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS 236710 1% 100% 1 Search ACCELERATED+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS Search ACCELERATED+QUANTUM+CHEMICAL+MOLECULAR+DYNAMICS

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 TSUBOI, H , CHUTIA, A , LV, C , ZHU, ZG , ONUMA, H , MIURA, R , SUZUKI, A , SAHNOUN, R , KOYAMA, M , HATAKEYAMA, N , ET AL (2009) AN ELECTRICAL CONDUCTIVITY PREDICTION SIMULATOR BASED ON TB-QCMD AND KMC. SYSTEM DEVELOPMENT AND APPLICATIONS.JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM. VOL. 903. ISSUE 1-3. P. 11 -22 15 35% 2
2 TSUBOI, H , SETOGAWA, H , KOYAMA, M , ENDOU, A , KUBO, M , DEL CARPIO, CA , BLOCLAWIK, E , MIYAMOTO, A , (2006) DEVELOPMENT OF ELECTRICAL CONDUCTIVITY ESTIMATION METHOD BASED ON TIGHT-BINDING QUANTUM CHEMICAL MOLECULAR DYNAMICS SIMULATION.JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS. VOL. 45. ISSUE 4B. P. 3137 -3143 7 64% 2
3 TSUBOI, H , SETOGAWA, H , ARUNABHIRAM, C , ZHU, ZG , LV, C , MIURA, R , KOYAMA, M , ENDOU, A , TAKABA, H , KUBO, M , ET AL (2007) DEVELOPMENT OF A THERMAL CONDUCTIVITY PREDICTION SIMULATORS BASED ON THE EFFECTS OF ELECTRON CONDUCTION AND LATTICE VIBRATION.JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS. VOL. 46. ISSUE 4B. P. 2609-2614 10 43% 0
4 RAUF, SMA , ENDOU, A , TAKABA, H , MIYAMOTO, A , (2013) EFFECT OF Y220C MUTATION ON P53 AND ITS RESCUE MECHANISM: A COMPUTER CHEMISTRY APPROACH.PROTEIN JOURNAL. VOL. 32. ISSUE 1. P. 68-74 9 39% 3
5 MIYAMOTO, A , KIKUCHI, H , ONUMA, H , TSUBOI, H , KOYAMA, M , HATAKEYAMA, N , ENDOU, A , TAKABA, H , KUBO, M , DEL CARPIO, CA , (2007) ELECTRONIC STRUCTURE AND ELECTRICAL CONDUCTIVITY OF MGO PROTECTING LAYER IN PLASMA-DISPLAY PANELS: A TIGHT-BINDING QUANTUM CHEMICAL STUDY.JOURNAL OF THE SOCIETY FOR INFORMATION DISPLAY. VOL. 15. ISSUE 5. P. 307 -313 8 50% 0
6 SELVAM, P , TSUBOI, H , KOYAMA, M , ENDOU, A , TAKABA, H , KUBO, M , DEL CARPIO, CA , MIYAMOTO, A , (2006) COMPUTATIONAL CHEMISTRY FOR INDUSTRIAL INNOVATION.REVIEWS IN CHEMICAL ENGINEERING. VOL. 22. ISSUE 6. P. 377 -470 25 16% 4
7 RAUF, SMA , SAHU, KK , TSUBOI, H , HATAKEYAMA, N , ENDOU, A , TAKABA, H , DEL CARPIO, CA , MIYAMOTO, A , (2012) RESTORATION OF P53-DNA INTERACTION LOSS UPON R273H MUTATION BY CP-31398: AN ULTRA ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS APPROACH.MEDICINAL CHEMISTRY RESEARCH. VOL. 21. ISSUE 2. P. 239-244 7 47% 0
8 SAHU, KK , ISMAEL, M , RAUF, SMA , SUZUKI, A , SAHNOUN, R , KOYAMA, M , TSUBOI, H , HATAKEYAMA, N , ENDOU, A , TAKABA, H , ET AL (2010) APPLYING ULTRA-ACCELERATED QUANTUM CHEMICAL MOLECULAR DYNAMICS TECHNIQUE FOR THE EVALUATION OF LIGAND PROTEIN INTERACTIONS.MEDICINAL CHEMISTRY RESEARCH. VOL. 19. ISSUE 1. P. 1-10 7 47% 2
9 RAUF, SMA , ISMAEL, M , SAHU, KK , SUZUKI, A , KOYAMA, M , TSUBOI, H , HATAKEYAMA, N , ENDOU, A , TAKABA, H , DEL CARPIO, CA , ET AL (2010) THE EFFECT OF R249S CARCINOGENIC AND H168R-R249S SUPPRESSOR MUTATIONS ON P53-DNA INTERACTION, A MULTI SCALE COMPUTATIONAL STUDY.COMPUTERS IN BIOLOGY AND MEDICINE. VOL. 40. ISSUE 5. P. 498-508 9 36% 2
10 RAUF, SMA , TAKABA, H , DEL CARPIO, CA , MIYAMOTO, A , (2014) HOW NUTLIN-3 DISRUPTS THE MDM2-P53 INTERACTION: A THEORETICAL INVESTIGATION.MEDICINAL CHEMISTRY RESEARCH. VOL. 23. ISSUE 4. P. 1998 -2006 8 32% 0

Classes with closest relation at Level 1


Rank Class id link
1 26750 ENVIRONM ORDNANCE SYST//VIBRATIONS OF SOLID SURFACES AND INTERFACES//ROYAL MIL SCI
2 29509 ABT ANGEW PHYS CHEM//INDIRECT CATALYSIS//CHEM ENGN 133 FENSKE
3 13449 SUR E PLASMA SCI//ERLANGEN CATALYSIS OURCE//CERIA
4 32365 HIGH PERFORMANCE SIMULATION//AMORPHOUS TITANIA GROWTH//ATOMIC INTERACTION FORCE
5 19589 CUBIC HFO2//CUBIC YSZ//NANOCRYSTALLINE SAMPLE
6 29786 ADSORPTION INDUCED OXIDATION OF CATION//DV XALPHA METHOD//EMBEDDED CLUSTER DV X ALPHA
7 18797 PODOLSK BRANCH//TUNGSTEN ATOMS//TIME RESOLVED HREM
8 4932 COMPUTAT PL CHEM//ZEOLITE//BRONSTED ACID SITES
9 16679 CORP TECHNOL PLANNING//PBTIO3 SURFACE//STRONTIUM TITANATE
10 11770 CEO2 FILM//CEO2 THIN FILM//CEO2

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