Class information for:
Level 3: PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//JOURNAL OF MOLECULAR SPECTROSCOPY//JOURNAL OF CHEMICAL PHYSICS

Basic class information
ID Publications Average number
of references		 Avg. shr. active
ref. in WoS
1 195791 36.1 56%


Bar chart of Publication_year

Last years might be incomplete

Classes in level above (level 4)


ID, lev.
above		 Publications Label for level above
4 1732830 CHEMISTRY, ORGANIC//CHEMISTRY, INORGANIC & NUCLEAR//CHEMISTRY, MULTIDISCIPLINARY

Classes in level below (level 2)


ID, lev.
below		 Publications Label for level below
67 27929 INTERNATIONAL JOURNAL OF CHEMICAL KINETICS//JOURNAL OF PHYSICAL CHEMISTRY A//QUASI CLASSICAL TRAJECTORY
164 21682 ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS//ATOMIC CLUSTERS//SUPERHALOGEN
273 18520 JOURNAL OF MOLECULAR SPECTROSCOPY//SPECT MOL//THEORET SPECT
377 16473 JOURNAL OF CHEMICAL THEORY AND COMPUTATION//QUANTUM THEORY GRP//OPTIMIZED EFFECTIVE POTENTIAL
404 16107 GEN INORGAN THEORET CHEM//STERLING CHEM//WATER CLUSTERS
450 15437 PHOTODISSOCIATION//GAS PHASE PHOTOCHEMICAL REACTION//ION VELOCITY IMAGING
680 12462 JOURNAL OF MOLECULAR SPECTROSCOPY//SPECTROSCOPIC PARAMETER//MOLECULAR DATA
926 10467 R0 STRUCTURAL PARAMETERS//XENON SOLUTIONS//CONFORMATIONAL STABILITY
1022 9786 VAN DER WAALS COMPLEX//CHEMICAL HAMILTONIAN APPROACH//INTERFERENCE ANGLE
1130 9162 ORGANIC MASS SPECTROMETRY//INTERNATIONAL JOURNAL OF MASS SPECTROMETRY//ION NEUTRAL COMPLEXES
1569 6706 QUANTUM SIMILARITY//EENHEID ALGEMENE CHEM//MOL THEORY GRP
1711 6110 LINEAR DICHROIC EFFECTS//PROTON SPONGES//H D ISOTOPIC EFFECTS
1839 5635 CONTRACTED SCHRODINGER EQUATION//SIZE CONSISTENCY//METHOD OF MOMENTS OF COUPLED CLUSTER EQUATIONS
1922 5282 SLATER TYPE ORBITALS//MULTICENTER INTEGRALS//OVERLAP INTEGRALS
2042 4884 HALOGEN BOND//HALOGEN BONDING//SIGMA HOLE
2558 3262 PHYS ENGG//FT RAMAN//HOMO LUMO
2919 2259 POLYMER PLATING//ONE ELECTRON DENSITY MATRIX//QUANTUM CHEMICAL EVALUATION
3073 1895 CATEDRA QUIM GEN//CATEDRA FISICOQUIM 1//CATEDRA FIS QUIM 1
3581 928 GAS PHASE ELIMINATION//FLOW VACUUM PYROLYSIS//FISICOQUIM ORGAN
3677 805 VALLEY RIDGE INFLECTION POINT//NEWTON TRAJECTORY//GRADIENT EXTREMAL

Terms with highest relevance score


Rank Term Type of term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of publ.
in class
1 PHYSICS, ATOMIC, MOLECULAR & CHEMICAL WoS category 22166 22% 46% 90667
2 JOURNAL OF MOLECULAR SPECTROSCOPY Journal 13045 87% 3% 6480
3 JOURNAL OF CHEMICAL PHYSICS Journal 12074 35% 14% 28207
4 JOURNAL OF PHYSICAL CHEMISTRY A Journal 5787 40% 6% 11242
5 CHEMICAL PHYSICS LETTERS Journal 5513 32% 7% 14315
6 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY Journal 2248 40% 2% 4356
7 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM Journal 2208 39% 2% 4405
8 CHEMICAL PHYSICS Journal 1933 34% 2% 4581
9 JOURNAL OF PHYSICAL CHEMISTRY Journal 1522 23% 3% 5701
10 MOLECULAR PHYSICS Journal 1339 32% 2% 3432

Web of Science journal categories


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of publ.
in class
1 Physics, Atomic, Molecular & Chemical 22166 22% 46% 90667

Author Key Words


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of publ.
in class		 LCSH search Wikipedia search
1 DENSITY FUNCTIONAL THEORY 621 19% 1% 2917 Search DENSITY+FUNCTIONAL+THEORY Search DENSITY+FUNCTIONAL+THEORY
2 AB INITIO CALCULATIONS 530 25% 1% 1881 Search AB+INITIO+CALCULATIONS Search AB+INITIO+CALCULATIONS
3 POTENTIAL ENERGY SURFACE 505 59% 0% 561 Search POTENTIAL+ENERGY+SURFACE Search POTENTIAL+ENERGY+SURFACE
4 AB INITIO 495 32% 1% 1288 Search AB+INITIO Search AB+INITIO
5 ROTATIONAL SPECTROSCOPY 437 83% 0% 246 Search ROTATIONAL+SPECTROSCOPY Search ROTATIONAL+SPECTROSCOPY
6 NBO 401 55% 0% 499 Search NBO Search NBO
7 VIBRATIONAL SPECTRA 375 41% 0% 719 Search VIBRATIONAL+SPECTRA Search VIBRATIONAL+SPECTRA
8 POTENTIAL ENERGY SURFACES 361 59% 0% 408 Search POTENTIAL+ENERGY+SURFACES Search POTENTIAL+ENERGY+SURFACES
9 COUPLED CLUSTER CALCULATIONS 336 78% 0% 220 Search COUPLED+CLUSTER+CALCULATIONS Search COUPLED+CLUSTER+CALCULATIONS
10 DFT 292 16% 1% 1634 Search DFT Search DFT

Key Words Plus


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of publ.
in class
1 AB INITIO 4717 33% 6% 11628
2 GAUSSIAN BASIS SETS 3761 51% 3% 5299
3 POTENTIAL ENERGY SURFACE 3596 69% 2% 3056
4 GAS PHASE 3435 36% 4% 7618
5 WAVE FUNCTIONS 2729 49% 2% 4012
6 POTENTIAL ENERGY SURFACES 2708 65% 1% 2598
7 BASIS SETS 2527 41% 2% 4717
8 DENSITY FUNCTIONAL THEORY 2493 26% 4% 8418
9 CORRELATED MOLECULAR CALCULATIONS 2393 60% 1% 2604
10 MICROWAVE SPECTRUM 1985 72% 1% 1568

Journals


Rank Web of Science journal category Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of publ.
in class
1 JOURNAL OF MOLECULAR SPECTROSCOPY 13045 87% 3% 6480
2 JOURNAL OF CHEMICAL PHYSICS 12074 35% 14% 28207
3 JOURNAL OF PHYSICAL CHEMISTRY A 5787 40% 6% 11242
4 CHEMICAL PHYSICS LETTERS 5513 32% 7% 14315
5 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 2248 40% 2% 4356
6 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 2208 39% 2% 4405
7 CHEMICAL PHYSICS 1933 34% 2% 4581
8 JOURNAL OF PHYSICAL CHEMISTRY 1522 23% 3% 5701
9 MOLECULAR PHYSICS 1339 32% 2% 3432
10 JOURNAL OF MOLECULAR STRUCTURE 1109 23% 2% 4232

Reviews


Title Publ. year Cit. Active references % act. ref.
to same field
Density functionals with broad applicability in chemistry 2008 2349 54 91%
GENERAL ATOMIC AND MOLECULAR ELECTRONIC-STRUCTURE SYSTEM 1993 12362 67 85%
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions 2009 1467 96 86%
Toward reliable density functional methods without adjustable parameters: The PBE0 model 1999 4102 113 79%
Quantum mechanical continuum solvation models 2005 4598 699 41%
Design of density functionals by combining the method of constraint satisfaction with parametrization for thermochemistry, thermochemical kinetics, and noncovalent interactions 2006 1596 115 82%
ITERATIVE MINIMIZATION TECHNIQUES FOR ABINITIO TOTAL-ENERGY CALCULATIONS - MOLECULAR-DYNAMICS AND CONJUGATE GRADIENTS 1992 5204 59 69%
Challenges for Density Functional Theory 2012 319 260 91%
Density functional theory with London dispersion corrections 2011 400 101 96%
Molpro: a general-purpose quantum chemistry program package 2012 308 88 89%

Address terms


Rank Address term Relevance score
(tfidf)		 Class's shr.
of term's tot.
occurrences		 Shr. of publ.
in class containing
term		 Num. of publ.
in class
1 THEORET CHEM 1146 33% 1.4% 2813
2 STATE MOL REACT DYNAM 481 47% 0.4% 756
3 COMPUTAT QUANTUM CHEM 391 60% 0.2% 427
4 THEORET COMPUTAT CHEM 327 40% 0.3% 642
5 COMPUTAT CHEM 320 41% 0.3% 598
6 QUIM FIS 300 16% 0.9% 1741
7 PHYS THEORET CHEM 298 17% 0.8% 1556
8 PHYS ENGG 288 99% 0.0% 68
9 CHERRY L EMERSON SCI COMPUTAT 270 53% 0.2% 358
10 PHOTOPHYS MOL 235 44% 0.2% 402

Related classes at same level (level 3)


Rank Relatedness score Related classes
1 0.0000002363 JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS//PHYSICS, ATOMIC, MOLECULAR & CHEMICAL//PHYSICAL REVIEW A
2 0.0000002252 AROMATICITY//CYCLOPHANES//CYCLACENES
3 0.0000002180 GRUNWALD WINSTEIN EQUATION//PYRIDINOLYSIS//CROSS INTERACTION CONSTANT
4 0.0000002034 QUANTUM CASCADE LASERS//QUANTUM CASCADE LASER//QUANTUM CASCADE LASERS QCLS
5 0.0000001488 PROPELLANTS EXPLOSIVES PYROTECHNICS//ENERGETIC MATERIALS//DETONATION PERFORMANCE
6 0.0000001410 SURFACE ENHANCED RAMAN SCATTERING//SERS//JOURNAL OF RAMAN SPECTROSCOPY
7 0.0000001312 POSITRON ANNIHILATION//POSITRONIUM//MAEAM
8 0.0000001256 FULLERENES//FULLERENE//FULLERENE SCIENCE AND TECHNOLOGY
9 0.0000001229 JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY//JOURNAL OF PHOTOCHEMISTRY//ESIPT
10 0.0000001220 JOURNAL OF LOW TEMPERATURE PHYSICS//QUANTUM TURBULENCE//SUPERFLUID HE 3