Class information for:
Level 1: EWALD SUMMATION//EWALD SUM//EWALD METHOD

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
13863 808 35.4 61%


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
0 4 BIOCHEMISTRY & MOLECULAR BIOLOGY//CELL BIOLOGY//ONCOLOGY 4064930
219 3       PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS//PROTEIN FOLDING//PROTEIN STRUCTURE PREDICTION 50409
260 2             PROTEIN FOLDING//JOURNAL OF CHEMICAL THEORY AND COMPUTATION//JOURNAL OF COMPUTATIONAL CHEMISTRY 19582
13863 1                   EWALD SUMMATION//EWALD SUM//EWALD METHOD 808

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 EWALD SUMMATION authKW 198545 2% 31% 17
2 EWALD SUM authKW 151151 1% 50% 8
3 EWALD METHOD authKW 147488 1% 35% 11
4 MADELUNG CONSTANT authKW 136039 1% 60% 6
5 CUTOFF METHOD authKW 85026 0% 75% 3
6 REACTION FIELD authKW 78820 1% 19% 11
7 BERTAUT APPROACH authKW 75580 0% 100% 2
8 CHARGE SPREADING authKW 75580 0% 100% 2
9 CONVERGENCE OF ENERGY authKW 75580 0% 100% 2
10 COULOMB SERIES authKW 75580 0% 100% 2

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 13733 51% 0% 413
2 Chemistry, Physical 7039 61% 0% 493
3 Physics, Mathematical 901 10% 0% 80
4 Computer Science, Interdisciplinary Applications 185 5% 0% 38
5 Physics, Multidisciplinary 144 8% 0% 63
6 Biophysics 58 4% 0% 34
7 Physics, Condensed Matter 58 7% 0% 54
8 Physics, Fluids & Plasmas 32 2% 0% 17
9 Chemistry, Multidisciplinary 28 7% 0% 57
10 Literature, Slavic 16 0% 0% 1

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 THEORET CHEM MOLEC PHYS GRP T12 75580 0% 100% 2
2 COMPLESSO UNIV MS ANGEOLO 37790 0% 100% 1
3 COMPUTERPHYSIK 37790 0% 100% 1
4 CONDENSED MATTER THEOR GRP 37790 0% 100% 1
5 ESPCI UMR 7083 37790 0% 100% 1
6 GRP RECERCA INFORMAT BIOMED BIOINFORMAT ESTRU 37790 0% 100% 1
7 NANCEIEN CHIM MOLUHP 7565 37790 0% 100% 1
8 PHARMACAEUT SCI 37790 0% 100% 1
9 RYAZAN PLANT MET CERAM DEVICES 37790 0% 100% 1
10 SECT ANGEW MATH 37790 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 MOLECULAR SIMULATION 16588 4% 1% 34
2 JOURNAL OF CHEMICAL PHYSICS 16554 24% 0% 194
3 MOLECULAR PHYSICS 15107 8% 1% 67
4 JOURNAL OF CHEMICAL THEORY AND COMPUTATION 10043 4% 1% 35
5 JOURNAL OF COMPUTATIONAL CHEMISTRY 4138 3% 0% 26
6 COMPUTER PHYSICS COMMUNICATIONS 3408 3% 0% 26
7 CHEMICAL PHYSICS LETTERS 1571 6% 0% 45
8 PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES 922 0% 1% 4
9 JOURNAL OF PHYSICAL CHEMISTRY B 729 3% 0% 28
10 ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE 476 0% 1% 2

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 EWALD SUMMATION 198545 2% 31% 17 Search EWALD+SUMMATION Search EWALD+SUMMATION
2 EWALD SUM 151151 1% 50% 8 Search EWALD+SUM Search EWALD+SUM
3 EWALD METHOD 147488 1% 35% 11 Search EWALD+METHOD Search EWALD+METHOD
4 MADELUNG CONSTANT 136039 1% 60% 6 Search MADELUNG+CONSTANT Search MADELUNG+CONSTANT
5 CUTOFF METHOD 85026 0% 75% 3 Search CUTOFF+METHOD Search CUTOFF+METHOD
6 REACTION FIELD 78820 1% 19% 11 Search REACTION+FIELD Search REACTION+FIELD
7 BERTAUT APPROACH 75580 0% 100% 2 Search BERTAUT+APPROACH Search BERTAUT+APPROACH
8 CHARGE SPREADING 75580 0% 100% 2 Search CHARGE+SPREADING Search CHARGE+SPREADING
9 CONVERGENCE OF ENERGY 75580 0% 100% 2 Search CONVERGENCE+OF+ENERGY Search CONVERGENCE+OF+ENERGY
10 COULOMB SERIES 75580 0% 100% 2 Search COULOMB+SERIES Search COULOMB+SERIES

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 REIF, MM , KRAUTLER, V , KASTENHOLZ, MA , DAURA, X , HUNENBERGER, PH , (2009) MOLECULAR DYNAMICS SIMULATIONS OF A REVERSIBLY FOLDING BETA-HEPTAPEPTIDE IN METHANOL: INFLUENCE OF THE TREATMENT OF LONG-RANGE ELECTROSTATIC INTERACTIONS.JOURNAL OF PHYSICAL CHEMISTRY B. VOL. 113. ISSUE 10. P. 3112 -3128 160 58% 26
2 HEINZ, TN , HUNENBERGER, PH , (2005) COMBINING THE LATTICE-SUM AND REACTION-FIELD APPROACHES FOR EVALUATING LONG-RANGE ELECTROSTATIC INTERACTIONS IN MOLECULAR SIMULATIONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 123. ISSUE 3. P. - 102 72% 25
3 REIF, MM , OOSTENBRINK, C , (2015) TOWARD THE CORRECTION OF EFFECTIVE ELECTROSTATIC FORCES IN EXPLICIT-SOLVENT MOLECULAR DYNAMICS SIMULATIONS: RESTRAINTS ON SOLVENT-GENERATED ELECTROSTATIC POTENTIAL AND SOLVENT POLARIZATION.THEORETICAL CHEMISTRY ACCOUNTS. VOL. 134. ISSUE 2. P. - 92 63% 1
4 KASTENHOLZ, MA , HUNENBERGER, PH , (2006) DEVELOPMENT OF A LATTICE-SUM METHOD EMULATING NONPERIODIC BOUNDARY CONDITIONS FOR THE TREATMENT OF ELECTROSTATIC INTERACTIONS IN MOLECULAR SIMULATIONS: A CONTINUUM-ELECTROSTATICS STUDY.JOURNAL OF CHEMICAL PHYSICS. VOL. 124. ISSUE 12. P. - 73 67% 9
5 MAZARS, M , (2011) LONG RANGED INTERACTIONS IN COMPUTER SIMULATIONS AND FOR QUASI-2D SYSTEMS.PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS. VOL. 500. ISSUE 2-3. P. 43 -116 126 30% 27
6 REIF, MM , HUNENBERGERA, PH , (2011) COMPUTATION OF METHODOLOGY-INDEPENDENT SINGLE-ION SOLVATION PROPERTIES FROM MOLECULAR SIMULATIONS. III. CORRECTION TERMS FOR THE SOLVATION FREE ENERGIES, ENTHALPIES, ENTROPIES, HEAT CAPACITIES, VOLUMES, COMPRESSIBILITIES, AND EXPANSIVITIES OF SOLVATED IONS.JOURNAL OF CHEMICAL PHYSICS. VOL. 134. ISSUE 14. P. - 85 41% 25
7 KASTENHOLZ, MA , HUNENBERGER, PH , (2004) INFLUENCE OF ARTIFICIAL PERIODICITY AND IONIC STRENGTH IN MOLECULAR DYNAMICS SIMULATIONS OF CHARGED BIOMOLECULES EMPLOYING LATTICE-SUM METHODS.JOURNAL OF PHYSICAL CHEMISTRY B. VOL. 108. ISSUE 2. P. 774-788 61 66% 85
8 TAKAHASHI, KZ , (2014) DESIGN OF A REACTION FIELD USING A LINEAR-COMBINATION-BASED ISOTROPIC PERIODIC SUM METHOD.JOURNAL OF COMPUTATIONAL CHEMISTRY. VOL. 35. ISSUE 11. P. 865 -875 50 65% 1
9 KASTENHOLZ, MA , HUNENBERGER, PH , (2006) COMPUTATION OF METHODOLOGY-INDEPENDENT IONIC SOLVATION FREE ENERGIES FROM MOLECULAR SIMULATIONS. II. THE HYDRATION FREE ENERGY OF THE SODIUM CATION.JOURNAL OF CHEMICAL PHYSICS. VOL. 124. ISSUE 22. P. - 72 47% 70
10 TAKAHASHI, KZ , (2015) AN IMPROVEMENT OF TRUNCATION METHOD BY A NOVEL REACTION FIELD: ACCURATE COMPUTATION FOR ESTIMATING METHANOL LIQUID-VAPOR INTERFACIAL SYSTEMS.COMPUTATIONAL MATERIALS SCIENCE. VOL. 100. ISSUE . P. 191 -194 44 70% 0

Classes with closest relation at Level 1


Rank Class id link
1 22502 MULTIPLE TIME STEP//SHAKE//SYMPLECTIC INTEGRATION METHODS
2 29357 IND ECOL//VISCOSITY AND DENSITY OF NAPHTHALENE SOLUTIONS//3D NONLINEAR EVOLUTIONARY PROBLEM
3 33825 PERTURBED MATRIX METHOD//DIPARTIMENTO CHIM INGN CHIM MAT//DIPARTIMENTO SCI TECNOL CHIM
4 21625 THERMODYNAMIC FORCE//DEHYDRATION ENERGIES//SOLUTION VACUUM INTERFACE
5 4443 POISSON BOLTZMANN EQUATION//POISSON BOLTZMANN//CONTINUUM ELECTROSTATICS
6 5252 POLARIZABLE FORCE FIELD//QUANTUM CHEMICAL TOPOLOGY//JOURNAL OF COMPUTATIONAL CHEMISTRY
7 8552 FAST MULTIPOLE METHOD//HIERARCHICAL MATRICES//SPECIAL PURPOSE COMPUTER
8 5802 THERMODYNAMIC INTEGRATION//FREE ENERGY CALCULATIONS//FREE ENERGY PERTURBATION
9 21613 PRIMITIVE MODEL ELECTROLYTES//CANONICAL ENSEMBLE MONTE CARLO//INVERSE GRAND CANONICAL MONTE CARLO METHOD
10 5458 FERROFLUID//MAGNETIC FLUID//MAGNETOVISCOUS EFFECT

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