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Topic · Physical and Theoretical Chemistry

Crystallography and molecular interactions

Crystallography and molecular interactions is a research topic within Physical and Theoretical Chemistry. Science Explorer counts 37k research works in it since 1950. 9.9% of them reached the world's top 10% most cited for their field and year.

This cluster of papers explores the diverse aspects of noncovalent interactions, including hydrogen bonding, halogen bonding, aromatic ring interactions, crystal engineering, cocrystal formation, and mechanochemistry in molecular crystals and supramolecular chemistry.

  • Noncovalent Interactions
  • Molecular Crystals
  • Supramolecular Chemistry
  • Hydrogen Bonding
  • Halogen Bonding
  • Aromatic Rings
  • Crystal Engineering
  • Cocrystals
  • Mechanochemistry
  • Intermolecular Interactions
Research works
37k
fractional, since 1950
In the world top 10%
3.6k
per year above
Top-10% rate
9.9%
share of its works in the world top 10%
Growth, 2018-21 → 2022-25
-9%
the tick is no change
Largest producer
China
28% of the 10 largest, 2022-now
Crystallography and molecular interactions

Which countries lead Crystallography and molecular interactions research?

By volume, China and India publish the most (983 and 623 works in 2022-now).

By volume, 2022-now

  1. 1 China 983 works
  2. 2 India 623 works
  3. 3 United States 526 works
  4. 4 Russia 279 works
  5. 5 Germany 238 works
  6. 6 Japan 233 works
  7. 7 United Kingdom 190 works
  8. 8 France 138 works
  9. 9 Poland 137 works
  10. 10 Spain 134 works

How concentrated that is

The same countries as shares of everything the list above accounts for. A node where two countries do two thirds of the work and one spread evenly across twelve read alike as a ranking and not at all alike here.

China: 28.2%India: 17.9%United States: 15.1%Russia: 8.0%6 others listed: 30.7%28%largest
China983 · 28.2%India623 · 17.9%United States526 · 15.1%Russia279 · 8.0%6 others listed1,070 · 30.7%

Shares of the rows listed above, not of the whole node.

Which institutions lead Crystallography and molecular interactions research?

By volume in 2022-now, Russian Academy of Sciences publishes the most Crystallography and molecular interactions research, followed by Centre National de la Recherche Scientifique and Chinese Academy of Sciences.

By volume, 2022-now

  1. 1 Russian Academy of SciencesRussia 144 works
  2. 2 Centre National de la Recherche ScientifiqueFrance 73 works
  3. 3 Chinese Academy of SciencesChina 60 works
  4. 4 Tianjin UniversityChina 34 works
  5. 5 Universitat de les Illes BalearsSpain 33 works
  6. 6 Beijing Institute of TechnologyChina 27 works
  7. 7 Nanjing University of Science and TechnologyChina 27 works
  8. 8 St Petersburg UniversityRussia 26 works
  9. 9 Polish Academy of SciencesPoland 23 works
  10. 10 Council of Scientific and Industrial ResearchIndia 21 works

Who are the leading researchers in Crystallography and molecular interactions?

The most-cited researchers publishing on Crystallography and molecular interactions include John P. Perdew, George Davey Smith and Kieron Burke.

  1. 1 John P. Perdew United States 436k citations
  2. 2 George Davey Smith United Kingdom 435k citations
  3. 3 Kieron Burke United States 276k citations
  4. 4 George M. Whitesides United States 267k citations
  5. 5 Wei Huang China 267k citations
  6. 6 Ben Zhong Tang China 261k citations
  7. 7 Omar M. Yaghi United States 254k citations
  8. 8 Donald G. Truhlar United States 230k citations
  9. 9 Stefan Grimme Germany 224k citations
  10. 10 Kai You Wang China 224k citations

Ranked by citations received across their whole record, among researchers with at least three works on this topic.

What are the most cited papers in Crystallography and molecular interactions?

The most cited paper in Crystallography and molecular interactions is "A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu" (Stefan Grimme, Jens Antony, Stephan Ehrlich et al., 2010), with 59,482 citations. Next come "Multiwfn: A multifunctional wavefunction analyzer" (45,639) and "Crystal structure refinement with SHELXL" (43,688).

Most cited papers
#PaperReleasedCitations
1 A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics 16 Apr 2010 59,482
2 Multiwfn: A multifunctional wavefunction analyzer Tian Lu, Feiwu Chen · Journal of Computational Chemistry 8 Dec 2011 45,639
3 Crystal structure refinement with SHELXL George M. Sheldrick · Acta Crystallographica Section C Structural Chemistry Open access 30 Dec 2014 43,688
4 OLEX2 : a complete structure solution, refinement and analysis program Oleg V. Dolomanov, Luc J. Bourhis, Richard J. Gildea et al. · Journal of Applied Crystallography 23 Jan 2009 32,557
5 Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction Stefan Grimme · Journal of Computational Chemistry 5 Sep 2006 31,395
All 100 most cited papers, with filters and sorting

Where is Crystallography and molecular interactions research done?

The largest centres of Crystallography and molecular interactions research in 2022-now are Beijing (China), Moscow (Russia), Tokyo (Japan) and Shanghai (China). Among places with at least 20 works in it, it is an unusually large share of all research in Palma.

Largest cities, 2022-now

  1. 1 BeijingChina 139 works
  2. 2 MoscowRussia 101 works
  3. 3 TokyoJapan 74 works
  4. 4 ShanghaiChina 69 works
  5. 5 NanjingChina 67 works
  6. 6 TianjinChina 63 works
  7. 7 ChennaiIndia 60 works
  8. 8 WarsawPoland 49 works
  9. 9 ParisFrance 47 works
  10. 10 HangzhouChina 41 works

Where it is the local speciality

  1. PalmaES · 33.4 works37×
← less than its size predicts1×more →

Location quotient: how much more of its research is in Crystallography and molecular interactions than the world average.

See Crystallography and molecular interactions on the map

Where is the best place to study Crystallography and molecular interactions?

Among universities, judged by research, Universitat de les Illes Balears, Tianjin University and Jilin University score highest, combining excellence, specialisation, size, growth and international reach. Research strength is one signal when choosing where to study; it does not measure teaching.

0%20%40%mean 19.35%fractional works in this field (log) →share of work in the world top 10% →Jilin UniversityUniversity of Cambri…Tianjin UniversityUniversitat de les I…
above the meannear itbelow it

One dot per university in the first ten of the table below, at the default weights. The upper left is the interesting corner: small places doing unusually strong work.

Excellenceshare of its work in the world top 10%, 2022-now and all time averaged
40%
Specialisationhow much of its work is in this field, counted up to 10× the world share
10%
Sizeits output in this field, on a log scale
30%
Growthoutput growth, counted from -20% to +20%
10%
Internationalshare of its work with a co-author abroad
10%
Each slider sets a weight; the share it gets of the score is beside it.
#UniversityScoreTop 10%SpecialisationWorksGrowth
1Universitat de les Illes BalearsSpain 76.69.3%64.3×33 +31.0%
2Tianjin UniversityChina 70.914.8%6.9×34 +17.3%
3Jilin UniversityChina 69.230.8%4.4×20 -1.2%
4University of CambridgeUnited Kingdom 65.823.0%2.8×14 -8.9%
5Utah State UniversityUnited States 64.88.9%25.7×19 +9.4%
6Beijing Institute of TechnologyChina 64.315.9%5.7×27 +50.0%
7Jadavpur UniversityIndia 61.324.1%11.3×13 +37.7%
8King Saud UniversitySaudi Arabia 61.322.6%3.3×13 +159.8%
9University of SouthamptonUnited Kingdom 58.818.6%5.2×11 +22.6%
10China Pharmaceutical UniversityChina 58.725.5%8.9×8 +36.7%

Universities only. The score blends excellence (40%), size (30%), specialisation (10%), growth (10%), international reach (10%), 2022-now; growth compares 2018-21 with 2022-25 and counts up to +20%, since a jump from a small base is mostly noise.

Every institution in Crystallography and molecular interactions, country by country

Is Crystallography and molecular interactions research growing?

Output in 2022-2025 was 9% lower than in 2018-2021, peaking in 2011.

still counting19801990200020102020
grewheldshrank

The same series as a ribbon: one cell per year, darker for more. The line above answers how much; this answers when.

Its share of all research

Growing output can still be a shrinking share: all of science grows. This is Crystallography and molecular interactions as a percentage of every work published that year, 0.018% in 2024.

still counting0.020%0.040%0.060%Crystallography and molecular interactions0.018% in 202519801990200020102020

Fractional works of Crystallography and molecular interactions over all fractional works that year. How the balance of science has shifted.

How much of it reaches the world top 10%

Year by year.

still counting5%10%15%Crystallography and molecular interactions9.7% in 2025200020102020

Of each year's works in it, the share that reached the world's 10% most cited for their field and year. A field is the world for its own topics, so there is no other line to hold it against.

Which topics inside it are moving

Growth and decline on one axis around a shared zero. Two lists side by side hide the thing that matters: whether the growth dwarfs the decline, or the other way round.

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