Class information for:
Level 1: VALLEY RIDGE INFLECTION POINT//GRADIENT EXTREMAL//NEWTON TRAJECTORY

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
12575 895 39.9 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
5 4 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY 1745167
3 3       PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF CHEMICAL PHYSICS//CHEMISTRY, PHYSICAL 183883
384 2             PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF COMPUTATIONAL CHEMISTRY//CHEMISTRY, PHYSICAL 17031
12575 1                   VALLEY RIDGE INFLECTION POINT//GRADIENT EXTREMAL//NEWTON TRAJECTORY 895

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 VALLEY RIDGE INFLECTION POINT authKW 485205 2% 89% 16
2 GRADIENT EXTREMAL authKW 445784 2% 93% 14
3 NEWTON TRAJECTORY authKW 377901 1% 92% 12
4 REACTION PATH authKW 227913 4% 20% 34
5 REACTION PATH FOLLOWING authKW 218341 1% 80% 8
6 VALLEY RIDGE INFLECTION authKW 204697 1% 100% 6
7 ADAPTIVE KINETIC MONTE CARLO authKW 142149 1% 83% 5
8 DDRP METHOD authKW 136465 0% 100% 4
9 MINIMUM ACTION METHOD authKW 121841 1% 71% 5
10 SHRINKING DIMER DYNAMICS authKW 109170 0% 80% 4

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 Physics, Atomic, Molecular & Chemical 13713 49% 0% 435
2 Chemistry, Physical 8928 65% 0% 582
3 Mathematics, Interdisciplinary Applications 958 8% 0% 70
4 Chemistry, Multidisciplinary 659 20% 0% 177
5 Physics, Mathematical 81 3% 0% 30
6 Computer Science, Interdisciplinary Applications 50 3% 0% 24
7 Mathematical & Computational Biology 9 1% 0% 8
8 Mathematics, Applied 3 2% 0% 19
9 Materials Science, Ceramics 2 1% 0% 6
10 Physics, Fluids & Plasmas 1 1% 0% 7

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 BOLYAI MATH 77531 1% 45% 5
2 PREDICT MODELLING 68232 0% 100% 2
3 BIOCHEM MOL CELL BIOL SECT BIOPHYS PROGRAM 34116 0% 100% 1
4 BOLYAI MAT 34116 0% 100% 1
5 COMP PLICAT TECHNOL YUNNAN PROV 34116 0% 100% 1
6 CONDENSED MATTER SUR E SCI GRP 34116 0% 100% 1
7 CORP POLYMER 34116 0% 100% 1
8 CREAT STUDIES COMP SCI 34116 0% 100% 1
9 DIRECTORATE CHEM ATMOSPHER SCI 34116 0% 100% 1
10 DYNAM EVOLUT MACHINE ORG 34116 0% 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 THEORETICA CHIMICA ACTA 30129 4% 3% 35
2 JOURNAL OF COMPUTATIONAL CHEMISTRY 20697 7% 1% 61
3 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 18532 6% 1% 50
4 JOURNAL OF CHEMICAL PHYSICS 14907 22% 0% 194
5 THEORETICAL CHEMISTRY ACCOUNTS 8951 3% 1% 27
6 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 6728 5% 0% 47
7 JOURNAL OF MATHEMATICAL CHEMISTRY 5754 2% 1% 21
8 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 2481 3% 0% 29
9 CHEMICAL PHYSICS LETTERS 2374 6% 0% 58
10 BOLETIN DE LA SOCIEDAD ESPANOLA DE CERAMICA Y VIDRIO 722 1% 0% 5

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 VALLEY RIDGE INFLECTION POINT 485205 2% 89% 16 Search VALLEY+RIDGE+INFLECTION+POINT Search VALLEY+RIDGE+INFLECTION+POINT
2 GRADIENT EXTREMAL 445784 2% 93% 14 Search GRADIENT+EXTREMAL Search GRADIENT+EXTREMAL
3 NEWTON TRAJECTORY 377901 1% 92% 12 Search NEWTON+TRAJECTORY Search NEWTON+TRAJECTORY
4 REACTION PATH 227913 4% 20% 34 Search REACTION+PATH Search REACTION+PATH
5 REACTION PATH FOLLOWING 218341 1% 80% 8 Search REACTION+PATH+FOLLOWING Search REACTION+PATH+FOLLOWING
6 VALLEY RIDGE INFLECTION 204697 1% 100% 6 Search VALLEY+RIDGE+INFLECTION Search VALLEY+RIDGE+INFLECTION
7 ADAPTIVE KINETIC MONTE CARLO 142149 1% 83% 5 Search ADAPTIVE+KINETIC+MONTE+CARLO Search ADAPTIVE+KINETIC+MONTE+CARLO
8 DDRP METHOD 136465 0% 100% 4 Search DDRP+METHOD Search DDRP+METHOD
9 MINIMUM ACTION METHOD 121841 1% 71% 5 Search MINIMUM+ACTION+METHOD Search MINIMUM+ACTION+METHOD
10 SHRINKING DIMER DYNAMICS 109170 0% 80% 4 Search SHRINKING+DIMER+DYNAMICS Search SHRINKING+DIMER+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 SCHLEGEL, HB , (2011) GEOMETRY OPTIMIZATION.WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE. VOL. 1. ISSUE 5. P. 790 -809 106 71% 71
2 ZIMMERMAN, PM , (2015) SINGLE-ENDED TRANSITION STATE FINDING WITH THE GROWING STRING METHOD.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 36. ISSUE 9. P. 601 -611 62 67% 6
3 MAEDA, S , HARABUCHI, Y , ONO, Y , TAKETSUGU, T , MOROKUMA, K , (2015) INTRINSIC REACTION COORDINATE: CALCULATION, BIFURCATION, AND AUTOMATED SEARCH.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. VOL. 115. ISSUE 5. P. 258 -269 67 45% 25
4 BOFILL, JM , QUAPP, W , BERNUZ, E , (2015) SOME REMARKS ON THE MODEL OF THE EXTENDED GENTLEST ASCENT DYNAMICS.JOURNAL OF MATHEMATICAL CHEMISTRY. VOL. 53. ISSUE 1. P. 41 -57 44 94% 0
5 TRYGUBENKO, SA , WALES, DJ , (2004) A DOUBLY NUDGED ELASTIC BAND METHOD FOR FINDING TRANSITION STATES.JOURNAL OF CHEMICAL PHYSICS. VOL. 120. ISSUE 5. P. 2082-2094 59 72% 165
6 QUAPP, W , (2003) REDUCED GRADIENT METHODS AND THEIR RELATION TO REACTION PATHS.JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY. VOL. 2. ISSUE 3. P. 385 -417 75 68% 38
7 LIU, YL , BURGER, SK , AYERS, PW , (2011) NEWTON TRAJECTORIES FOR FINDING STATIONARY POINTS ON MOLECULAR POTENTIAL ENERGY SURFACES.JOURNAL OF MATHEMATICAL CHEMISTRY. VOL. 49. ISSUE 9. P. 1915 -1927 45 90% 7
8 GUTIERREZ, MP , ARGAEZ, C , JONSSON, H , (2017) IMPROVED MINIMUM MODE FOLLOWING METHOD FOR FINDING FIRST ORDER SADDLE POINTS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 13. ISSUE 1. P. 125 -134 42 82% 0
9 ZIMMERMAN, PM , (2013) RELIABLE TRANSITION STATE SEARCHES INTEGRATED WITH THE GROWING STRING METHOD.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 9. ISSUE 7. P. 3043 -3050 53 66% 12
10 DEL CAMPO, JM , KOSTER, AM , (2008) A HIERARCHICAL TRANSITION STATE SEARCH ALGORITHM.JOURNAL OF CHEMICAL PHYSICS. VOL. 129. ISSUE 2. P. - 55 70% 20

Classes with closest relation at Level 1


Rank Class id link
1 6749 MARKOV STATE MODEL//ENHANCED SAMPLING//TRANSITION PATH SAMPLING
2 29965 ADIABATIC CONNECTION SCHEME//CANONICAL FORCE FIELD//COMPLIANCE CONSTANTS
3 24314 LOWDINS PAIRING THEOREM//3D 3D EXCITED STATES//FLOATING SPHERICAL GAUSSIAN ORBITAL
4 9875 VARIATIONAL TRANSITION STATE THEORY//DIRECT DYNAMICS//ATMOSPHERIC LIFETIME
5 15253 LINK ATOM//QM MM//EXTREMELY LOCALIZED MOLECULAR ORBITALS
6 34657 DYOTROPIC REARRANGEMENTS//ALKLY FLUORIDE//BASIS OF HOMODESMIC REACTIONS
7 15296 ASYNCHRONOUS CONCERTED REACTION//BISTRIFLUOROMETHANESULFONYLMETHANE//CILC IRC
8 24912 CORIOLIS PERTURBATIONS//HYDROGEN ISOCYANIDE//BENDING VIBRATIONS
9 17883 AFLOW//COMPUTAT DESIGN DISCOVERY NOVEL MAT//ENSEMBLES OF FEED FORWARD NEURAL NETWORKS
10 31152 CATIVIC//PAIRED INTERACTING ORBITALS//FERMO

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