Density-functional thermochemistry. III. The role of exact exchange

Article Properties
  • Language
    English
  • DOI (url)
  • Publication Date
    1993/04/01
  • Indian UGC (journal)
  • Refrences
    20
  • Citations
    86,657
  • Axel D. Becke Department of Chemistry, Queen’s University, Kingston, Ontario, Canada K7L 3N6
Abstract
Journal Categories
Science
Chemistry
Science
Chemistry
Physical and theoretical chemistry
Science
Physics
Atomic physics
Constitution and properties of matter
Refrences
Title Journal Journal Categories Citations Publication Date
A new mixing of Hartree–Fock and local density-functional theories

The Journal of Chemical Physics
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Physics: Atomic physics. Constitution and properties of matter
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry
13,282 1993
Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction

The Journal of Chemical Physics
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Physics: Atomic physics. Constitution and properties of matter
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry
1,463 1992
Density-functional thermochemistry. I. The effect of the exchange-only gradient correction

The Journal of Chemical Physics
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Physics: Atomic physics. Constitution and properties of matter
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry
2,449 1992
10.1103/PhysRevB.46.6671 Physical Review B 1992
Gaussian-2 theory for molecular energies of first- and second-row compounds

The Journal of Chemical Physics
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Physics: Atomic physics. Constitution and properties of matter
  • Science: Chemistry: Physical and theoretical chemistry
  • Science: Chemistry
3,015 1991
Refrences Analysis
The category Science: Chemistry: Physical and theoretical chemistry 14 is the most frequently represented among the references in this article. It primarily includes studies from The Journal of Chemical Physics and Physical Review B. The chart below illustrates the number of referenced publications per year.
Refrences used by this article by year
Citations
Title Journal Journal Categories Citations Publication Date
Thiolated Chiral Naphthalene Diimide Derivatives as Effective Selectors of the β‐Blocker Atenolol Enantiomers

Advanced Functional Materials
  • Science: Chemistry: General. Including alchemy
  • Science: Chemistry: Physical and theoretical chemistry
  • Technology: Chemical technology
  • Science: Chemistry
  • Science: Physics
  • Science: Physics
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
2024
Organic Catalysis Promotor for Advanced Water Electrolysis

Advanced Functional Materials
  • Science: Chemistry: General. Including alchemy
  • Science: Chemistry: Physical and theoretical chemistry
  • Technology: Chemical technology
  • Science: Chemistry
  • Science: Physics
  • Science: Physics
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
2024
Organic Anodes with Nearly 100% Initial Coulombic Efficiency Enabled by Wet‐Chemically Constructed Artificial Solid‐Electrolyte Interphase Film toward High‐Energy‐Density Organic Full Batteries

Advanced Functional Materials
  • Science: Chemistry: General. Including alchemy
  • Science: Chemistry: Physical and theoretical chemistry
  • Technology: Chemical technology
  • Science: Chemistry
  • Science: Physics
  • Science: Physics
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
2024
Rapid Prediction of Energy Level Alignment and Conductance of Single‐Molecule Junctions Through Intramolecular Dipole Moment

Advanced Functional Materials
  • Science: Chemistry: General. Including alchemy
  • Science: Chemistry: Physical and theoretical chemistry
  • Technology: Chemical technology
  • Science: Chemistry
  • Science: Physics
  • Science: Physics
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Chemical technology
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
2024
Solid Additive Dual‐Regulates Spectral Response Enabling High‐Performance Semitransparent Organic Solar Cells

Advanced Materials
  • Science: Chemistry: General. Including alchemy
  • Science: Chemistry: Physical and theoretical chemistry
  • Technology: Chemical technology
  • Science: Chemistry
  • Science: Physics
  • Science: Physics
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
  • Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials
2024
Citations Analysis
Category Category Repetition
Science: Chemistry73,099
Science: Chemistry: Physical and theoretical chemistry36,236
Science: Physics: Atomic physics. Constitution and properties of matter21,320
Science: Chemistry: General. Including alchemy17,258
Science: Chemistry: Inorganic chemistry12,116
Science: Chemistry: Analytical chemistry11,822
Science: Physics: Nuclear and particle physics. Atomic energy. Radioactivity8,868
Science: Chemistry: Organic chemistry8,788
Technology: Chemical technology: Polymers and polymer manufacture8,473
Science: Physics7,728
Technology: Chemical technology6,549
Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of materials4,837
Science: Biology (General)4,012
Science: Chemistry: Crystallography2,435
Science: Chemistry: Organic chemistry: Biochemistry2,248
Technology: Chemical technology: Chemical engineering1,612
Science: Mathematics: Instruments and machines: Electronic computers. Computer science1,525
Science: Mathematics1,404
Medicine: Therapeutics. Pharmacology1,092
Technology: Environmental technology. Sanitary engineering934
Science: Science (General)922
Social Sciences: Industries. Land use. Labor: Special industries and trades: Energy industries. Energy policy. Fuel trade859
Technology: Engineering (General). Civil engineering (General)715
Science: Physics: Optics. Light671
Geography. Anthropology. Recreation: Environmental sciences577
Science539
Medicine: Public aspects of medicine: Toxicology. Poisons518
Science: Biology (General): Ecology458
Technology: Engineering (General). Civil engineering (General): Environmental engineering395
Science: Physics: Heat: Thermodynamics378
Science: Geology374
Medicine: Medicine (General): Computer applications to medicine. Medical informatics301
Technology: Mining engineering. Metallurgy292
Technology: Mechanical engineering and machinery: Renewable energy sources272
Agriculture269
Agriculture: Agriculture (General)269
Technology: Chemical technology: Textile bleaching, dyeing, printing, etc.256
Medicine241
Science: Astronomy219
Science: Science (General): Cybernetics: Information theory174
Technology: Electrical engineering. Electronics. Nuclear engineering: Electric apparatus and materials. Electric circuits. Electric networks167
Technology: Chemical technology: Biotechnology157
Technology: Engineering (General). Civil engineering (General): Applied optics. Photonics149
Technology: Chemical technology: Food processing and manufacture146
Technology: Electrical engineering. Electronics. Nuclear engineering: Nuclear engineering. Atomic power136
Technology: Mechanical engineering and machinery119
Science: Botany: Plant ecology117
Science: Physics: Acoustics. Sound108
Technology: Home economics: Nutrition. Foods and food supply102
Science: Mathematics: Instruments and machines95
Science: Biology (General): Genetics77
Technology: Chemical technology: Clay industries. Ceramics. Glass65
Agriculture: Plant culture63
Medicine: Medicine (General)63
Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics56
Agriculture: Animal culture53
Technology: Hydraulic engineering: River, lake, and water-supply engineering (General)50
Science: Microbiology48
Science: Biology (General): Cytology45
Technology44
Medicine: Pharmacy and materia medica40
Science: Physics: Meteorology. Climatology39
Technology: Technology (General): Industrial engineering. Management engineering37
Technology: Electrical engineering. Electronics. Nuclear engineering37
Medicine: Medicine (General): Medical technology33
Science: Zoology32
Science: Botany31
Science: Mathematics: Instruments and machines: Electronic computers. Computer science: Computer software25
Medicine: Internal medicine: Specialties of internal medicine: Diseases of the endocrine glands. Clinical endocrinology19
Science: Physics: Electricity and magnetism: Electricity: Plasma physics. Ionized gases19
Medicine: Internal medicine: Neurosciences. Biological psychiatry. Neuropsychiatry19
Education: Education (General)17
Technology: Electrical engineering. Electronics. Nuclear engineering: Production of electric energy or power. Powerplants. Central stations16
Medicine: Internal medicine: Specialties of internal medicine: Immunologic diseases. Allergy16
Technology: Chemical technology: Fuel14
Medicine: Internal medicine: Infectious and parasitic diseases14
Technology: Chemical technology: Oils, fats, and waxes: Petroleum refining. Petroleum products14
Technology: Engineering (General). Civil engineering (General): Mechanics of engineering. Applied mechanics14
Technology: Electrical engineering. Electronics. Nuclear engineering: Electronics: Computer engineering. Computer hardware13
Medicine: Medicine (General): Medical physics. Medical radiology. Nuclear medicine13
Technology: Chemical technology: Industrial electrochemistry12
Science: Astronomy: Astrophysics11
Medicine: Internal medicine: Special situations and conditions: Industrial medicine. Industrial hygiene11
Technology: Technology (General): Industrial engineering. Management engineering: Applied mathematics. Quantitative methods11
Science: Physics: Geophysics. Cosmic physics10
Technology: Building construction: Architectural engineering. Structural engineering of buildings9
Medicine: Internal medicine: Neoplasms. Tumors. Oncology. Including cancer and carcinogens9
Technology: Motor vehicles. Aeronautics. Astronautics8
Medicine: Other systems of medicine7
Science: Geology: Mineralogy7
Science: Geology: Petrology6
Technology: Technology (General): Industrial engineering. Management engineering: Information technology6
Science: Mathematics: Probabilities. Mathematical statistics6
Technology: Environmental technology. Sanitary engineering: Environmental pollution5
Medicine: Dermatology5
Social Sciences4
Science: Natural history (General): Microscopy4
Bibliography. Library science. Information resources4
Medicine: Public aspects of medicine3
Technology: Electrical engineering. Electronics. Nuclear engineering: Telecommunication3
Science: Physiology3
Technology: Manufactures3
Technology: Chemical technology: Oils, fats, and waxes2
Geography. Anthropology. Recreation: Oceanography2
Agriculture: Aquaculture. Fisheries. Angling2
Medicine: Internal medicine: Neurosciences. Biological psychiatry. Neuropsychiatry: Neurology. Diseases of the nervous system2
Medicine: Internal medicine: Specialties of internal medicine: Nutritional diseases. Deficiency diseases2
Medicine: Pathology2
Science: Biology (General): Evolution2
Medicine: Internal medicine: Special situations and conditions: Geriatrics2
History (General) and history of Europe: History (General)2
Social Sciences: Industries. Land use. Labor: Management. Industrial management2
Bibliography. Library science. Information resources: Information resources (General)2
Philosophy. Psychology. Religion: Philosophy (General)2
Technology: Photography2
Technology: Technology (General)2
Social Sciences: Sociology (General)1
General Works1
Fine Arts1
Social Sciences: Social sciences (General)1
Agriculture: Animal culture: Veterinary medicine1
Social Sciences: Industries. Land use. Labor: Special industries and trades: Chemical industries1
Medicine: Internal medicine: Specialties of internal medicine: Diseases of the respiratory system1
Law: Law in general. Comparative and uniform law. Jurisprudence: Comparative law. International uniform law: Medical legislation1
Science: Biology (General): Reproduction1
Science: Physiology: Animal biochemistry1
Technology: Engineering (General). Civil engineering (General): Earthwork. Foundations1
Agriculture: Animal culture: Cattle: Dairy processing. Dairy products1
Agriculture: Animal culture: Cattle: Dairying1
Geography. Anthropology. Recreation: Physical geography1
Agriculture: Forestry1
Fine Arts: Architecture1
Social Sciences: Industries. Land use. Labor: Special industries and trades: Construction industry1
The category Science: Chemistry 73,099 is the most commonly referenced area in studies that cite this article. The first research to cite this article was titled A general purpose exchange-correlation energy functional and was published in 1993. The most recent citation comes from a 2024 study titled The effect of microsolvation on the structure, nuclear quadrupole coupling, and internal rotation: The methyl carbamate⋯(H2O)1–3 complexes. This article reached its peak citation in 2014, with 4,523 citations. It has been cited in 1,872 different journals, 15% of which are open access. Among related journals, the The Journal of Physical Chemistry A cited this research the most, with 6,131 citations. The chart below illustrates the annual citation trends for this article.
Citations used this article by year