Class information for:
Level 1: GIBBS ENSEMBLE//FLUID PHASE EQUILIBRIA//MOLECULAR SIMULATION

Basic class information
Class id #P Avg. number of
references		 Database coverage
of references
3412 1989 34.9 56%


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
12 4 POLYMER SCIENCE//MATERIALS SCIENCE, PAPER & WOOD//CHEMISTRY, PHYSICAL 1084170
291 3       JOURNAL OF CHEMICAL PHYSICS//CHEMISTRY, PHYSICAL//MOLECULAR PHYSICS 41705
490 2             MOLECULAR PHYSICS//FLUID PHASE EQUILIBRIA//JOURNAL OF CHEMICAL PHYSICS 15489
3412 1                   GIBBS ENSEMBLE//FLUID PHASE EQUILIBRIA//MOLECULAR SIMULATION 1989

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 GIBBS ENSEMBLE authKW 378401 2% 57% 43
2 FLUID PHASE EQUILIBRIA journal 221267 19% 4% 370
3 MOLECULAR SIMULATION authKW 188782 7% 9% 135
4 LAND UMWELT ENERGIETECH address 152594 1% 76% 13
5 LEHRSTUHL THERMODYNAM ENERGIETECH address 122787 1% 50% 16
6 TECH THERMODYNAM THERM VERFAHRENSTECH address 120858 1% 38% 21
7 E HALA THERMODYNAM address 115243 2% 19% 40
8 MOLECULAR PHYSICS journal 109120 14% 3% 282
9 LENNARD JONES FLUID authKW 77357 1% 23% 22
10 GIBBS DUHEM INTEGRATION authKW 62675 0% 58% 7

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 30676 80% 0% 1590
2 Physics, Atomic, Molecular & Chemical 26596 46% 0% 905
3 Thermodynamics 15625 23% 0% 458
4 Engineering, Chemical 6532 25% 0% 489
5 Chemistry, Multidisciplinary 77 7% 0% 145
6 Physics, Mathematical 49 2% 0% 42
7 Physics, Fluids & Plasmas 16 1% 0% 25
8 Engineering, Petroleum 12 0% 0% 7
9 Computer Science, Interdisciplinary Applications 3 1% 0% 20
10 Mechanics 2 2% 0% 30

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 LAND UMWELT ENERGIETECH 152594 1% 76% 13
2 LEHRSTUHL THERMODYNAM ENERGIETECH 122787 1% 50% 16
3 TECH THERMODYNAM THERM VERFAHRENSTECH 120858 1% 38% 21
4 E HALA THERMODYNAM 115243 2% 19% 40
5 GCP CHEM PROC ENGN 46051 0% 100% 3
6 FRE 3099 42502 0% 46% 6
7 THERMODYNAM ENERGY TECHNOL 39579 0% 37% 7
8 THERMODYNAM INTERACT MOL 38550 1% 18% 14
9 THERMODYNAM MOL MODELLING 30701 0% 100% 2
10 UMR CNRS 6272 30701 0% 100% 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 FLUID PHASE EQUILIBRIA 221267 19% 4% 370
2 MOLECULAR PHYSICS 109120 14% 3% 282
3 MOLECULAR SIMULATION 81261 6% 4% 118
4 JOURNAL OF CHEMICAL PHYSICS 21956 18% 0% 352
5 JOURNAL OF PHYSICAL CHEMISTRY B 5056 6% 0% 114
6 INTERNATIONAL JOURNAL OF THERMOPHYSICS 2410 1% 1% 26
7 JOURNAL OF CHEMICAL THERMODYNAMICS 1913 2% 0% 30
8 BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1182 1% 0% 19
9 JOURNAL OF PHYSICAL CHEMISTRY 1082 2% 0% 43
10 ADVANCES IN CHEMICAL PHYSICS 1008 0% 1% 7

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 GIBBS ENSEMBLE 378401 2% 57% 43 Search GIBBS+ENSEMBLE Search GIBBS+ENSEMBLE
2 MOLECULAR SIMULATION 188782 7% 9% 135 Search MOLECULAR+SIMULATION Search MOLECULAR+SIMULATION
3 LENNARD JONES FLUID 77357 1% 23% 22 Search LENNARD+JONES+FLUID Search LENNARD+JONES+FLUID
4 GIBBS DUHEM INTEGRATION 62675 0% 58% 7 Search GIBBS+DUHEM+INTEGRATION Search GIBBS+DUHEM+INTEGRATION
5 INDUSTRIAL FLUID PROPERTIES SIMULATION CHALLENGE 61401 0% 100% 4 Search INDUSTRIAL+FLUID+PROPERTIES+SIMULATION+CHALLENGE Search INDUSTRIAL+FLUID+PROPERTIES+SIMULATION+CHALLENGE
6 LONG RANGE CORRECTIONS 61401 0% 100% 4 Search LONG+RANGE+CORRECTIONS Search LONG+RANGE+CORRECTIONS
7 TRAPPE UA 61401 0% 100% 4 Search TRAPPE+UA Search TRAPPE+UA
8 VAPOUR LIQUID EQUILIBRIA 53964 1% 12% 29 Search VAPOUR+LIQUID+EQUILIBRIA Search VAPOUR+LIQUID+EQUILIBRIA
9 ANISOTROPIC UNITED ATOM 49120 0% 80% 4 Search ANISOTROPIC+UNITED+ATOM Search ANISOTROPIC+UNITED+ATOM
10 VAN DER WAALS ONE FLUID THEORY 49120 0% 80% 4 Search VAN+DER+WAALS+ONE+FLUID+THEORY Search VAN+DER+WAALS+ONE+FLUID+THEORY

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 GOUJON, F , GHOUFI, A , MALFREYT, P , TILDESLEY, DJ , (2015) CONTROLLING THE LONG-RANGE CORRECTIONS IN ATOMISTIC MONTE CARLO SIMULATIONS OF TWO-PHASE SYSTEMS.JOURNAL OF CHEMICAL THEORY AND COMPUTATION. VOL. 11. ISSUE 10. P. 4573 -4585 45 96% 7
2 HEMMEN, A , GROSS, J , (2015) TRANSFERABLE ANISOTROPIC UNITED-ATOM FORCE FIELD BASED ON THE MIE POTENTIAL FOR PHASE EQUILIBRIUM CALCULATIONS: N-ALKANES AND N-OLEFINS.JOURNAL OF PHYSICAL CHEMISTRY B. VOL. 119. ISSUE 35. P. 11695 -11707 58 74% 4
3 UNGERER, P , NIETO-DRAGHI, C , ROUSSEAU, B , AHUNBAY, G , LACHET, V , (2007) MOLECULAR SIMULATION OF THE THERMOPHYSICAL PROPERTIES OF FLUIDS: FROM UNDERSTANDING TOWARD QUANTITATIVE PREDICTIONS.JOURNAL OF MOLECULAR LIQUIDS. VOL. 134. ISSUE 1-3. P. 71 -89 78 61% 44
4 PANAGIOTOPOULOS, AZ , (2000) MONTE CARLO METHODS FOR PHASE EQUILIBRIA OF FLUIDS.JOURNAL OF PHYSICS-CONDENSED MATTER. VOL. 12. ISSUE 3. P. R25 -R52 86 54% 158
5 BISCAY, F , GHOUFI, A , LACHET, V , MALFREYT, P , (2011) PREDICTION OF THE SURFACE TENSION OF THE LIQUID-VAPOR INTERFACE OF ALCOHOLS FROM MONTE CARLO SIMULATIONS.JOURNAL OF PHYSICAL CHEMISTRY C. VOL. 115. ISSUE 17. P. 8670 -8683 46 81% 29
6 MALFREYT, P , TILDESLEY, DJ , GHOUFI, A , (2016) COMPUTER MODELLING OF THE SURFACE TENSION OF THE GAS-LIQUID AND LIQUID-LIQUID INTERFACE.CHEMICAL SOCIETY REVIEWS. VOL. 45. ISSUE 5. P. 1387 -1409 67 38% 5
7 MALFREYT, P , BISCAY, F , GHOUFI, A , LACHET, V , (2009) CALCULATION OF THE SURFACE TENSION OF CYCLIC AND AROMATIC HYDROCARBONS FROM MONTE CARLO SIMULATIONS USING AN ANISOTROPIC UNITED ATOM MODEL (AUA).PHYSICAL CHEMISTRY CHEMICAL PHYSICS. VOL. 11. ISSUE 29. P. 6132 -6147 41 93% 15
8 MALFREYT, P , NEYT, JC , WENDER, A , LACHET, V , (2012) MODELING THE PRESSURE DEPENDENCE OF ACID GAS PLUS N-ALKANE INTERFACIAL TENSIONS USING ATOMISTIC MONTE CARLO SIMULATIONS.JOURNAL OF PHYSICAL CHEMISTRY C. VOL. 116. ISSUE 19. P. 10563 -10572 42 81% 15
9 NEYT, JC , WENDER, A , LACHET, V , MALFREYT, P , (2011) PREDICTION OF THE TEMPERATURE DEPENDENCE OF THE SURFACE TENSION OF SO2, N-2, O-2, AND AR BY MONTE CARLO MOLECULAR SIMULATIONS.JOURNAL OF PHYSICAL CHEMISTRY B. VOL. 115. ISSUE 30. P. 9421 -9430 39 87% 23
10 MARTINEZ-RUIZ, FJ , BLAS, FJ , MENDIBOURE, B , BRAVO, AIMV , (2014) EFFECT OF DISPERSIVE LONG-RANGE CORRECTIONS TO THE PRESSURE TENSOR: THE VAPOUR-LIQUID INTERFACIAL PROPERTIES OF THE LENNARD-JONES SYSTEM REVISITED.JOURNAL OF CHEMICAL PHYSICS. VOL. 141. ISSUE 18. P. - 40 78% 8

Classes with closest relation at Level 1


Rank Class id link
1 31292 CLASSICAL SOLIDS//CNRS CEA SNECMA PROPULS SOLIDE//CONCENTRATION EQUATION FOR POLYVACANCY
2 13809 YUKAWA FLUID//SQUARE WELL FLUID//SCOZA
3 2958 SAFT//FLUID PHASE EQUILIBRIA//PC SAFT
4 37037 LS PHYS//LS//RECIPROCAL OF ACTIVITY
5 14936 MENDELEEV//MAYER SAMPLING MONTE CARLO//RADIAL DISTRIBUTION FUNCTIONS AT CONTACT
6 29070 CALIBRATION FREE MEASUREMENTS//ELECTRONIC 2ND MOMENT ISOTOPE EFFECTS//INTERPRETATION CONCEPT
7 6880 NON EQUILIBRIUM MOLECULAR DYNAMICS//NOSE HOOVER THERMOSTAT//MOL SIMULAT
8 17098 REVERSE MONTE CARLO MODELLING//REVERSE MONTE CARLO//AB INITIO MONTE CARLO SIMULATION
9 18198 DONETSK AA GALKIN PHYS TECHNOL//THREE BODY INTERACTIONS//MANY BODY INTERACTION
10 7912 RISM//ADV ENERGY UTILIZAT//3D RISM THEORY

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