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qtaim (602) 602
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electron density (94) 94
physical chemistry (94) 94
chemical bonds (90) 90
organic chemistry (88) 88
qtaim analysis (83) 83
density functional theory (82) 82
quantum theory of atoms in molecules (82) 82
crystallography (80) 80
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hydrogen bond (65) 65
bonds (60) 60
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computer science (52) 52
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density functionals (51) 51
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thermodynamics (45) 45
electrons (42) 42
crystal structure (41) 41
chemistry, inorganic & nuclear (40) 40
molecular structure (40) 40
bonding strength (37) 37
dft calculations (36) 36
quantum chemistry (36) 36
topology (35) 35
atomic/molecular structure and spectra (34) 34
bonding (34) 34
ligands (33) 33
mathematics (32) 32
mathematics, interdisciplinary applications (31) 31
quantum science & technology (31) 31
electronic structure (30) 30
halogen bond (29) 29
materials science (29) 29
quantentheorie (29) 29
charge transfer (28) 28
force and energy (28) 28
chemical properties (27) 27
critical point (27) 27
elf (27) 27
charge density (26) 26
chemical sciences (26) 26
quantum chemical topology (26) 26
specific gravity (26) 26
chemistry, organic (25) 25
crystals (25) 25
nci (25) 25
quantum-theory (25) 25
dimers (23) 23
materials science, multidisciplinary (23) 23
investigations (22) 22
aromaticity (21) 21
cooperativity (21) 21
molecular dynamics (21) 21
nbo analysis (21) 21
structure (21) 21
ab initio (19) 19
models, chemical (19) 19
molecular conformation (19) 19
spectroscopy (19) 19
atoms & subatomic particles (18) 18
computer simulation (18) 18
electrostatic potential (18) 18
molecular chains (18) 18
natural bond orbital (18) 18
coordination compounds (17) 17
density (17) 17
eda (17) 17
iqa (17) 17
protons (17) 17
b3lyp (16) 16
catalysis (16) 16
electron localization function (16) 16
nmr (16) 16
nuclear magnetic resonance--nmr (16) 16
dichtefunktionaltheorie (15) 15
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