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Revisiting van der Waals Radii: From Comprehensive Structural Analysis to Knowledge‐Based Classification of Interatomic Contacts
1 of 36 checkable references need attention · checked 2026-07-23
At the dated check, the references listed below either did not resolve in Crossref or DataCite, or carried a retraction notice. Each one is shown with the registry record that put it there.
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References needing attention
does not resolve to a known work10.1021/jp953141
The 35 checked references that resolve
resolves10.1021/ja9621760
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
resolves10.1002/jcc.21367
CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields
resolves10.1103/PhysRevLett.102.073005
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
resolves10.1063/1.3382344
A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
resolves10.1039/b000184h
COSMO Implementation in TURBOMOLE: Extension of an efficient quantum chemical code towards liquid systems
resolves10.1021/jp056016z
Calculation of Solvent Shifts on Electronic <b>g</b>-Tensors with the Conductor-Like Screening Model (COSMO) and Its Self-Consistent Generalization to Real Solvents (Direct COSMO-RS)
resolves10.1063/1.478883
Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model
resolves10.1107/S010876818800374X
Can statistical analysis of structural parameters from different crystal environments lead to quantitative energy relationships?
resolves10.1107/S0108768185002129
A revision of van der Waals atomic radii for molecular crystals: N, O, F, S, Cl, Se, Br and I bonded to carbon
resolves10.1073/pnas.1814300115
Visualizing atomic sizes and molecular shapes with the classical turning surface of the Kohn–Sham potential
resolves10.1063/1.475149
Natural steric analysis: <i>Ab initio</i> van der Waals radii of atoms and ions
resolves10.1039/C4CE00452C
Which intermolecular interactions have a significant influence on crystal packing?
resolves10.1002/anie.200460157
Molecular Recognition in Organic Crystals: Directed Intermolecular Bonds or Nonlocalized Bonding?
resolves10.1021/cr00031a008
Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes
resolves10.1021/jp022288f
Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. 2. An Improved Polarization Model and the Evaluation of Dispersion and Repulsion Energies
resolves10.1021/ja00205a027
The nature of halogen.cntdot..cntdot..cntdot.halogen interactions: are short halogen contacts due to specific attractive forces or due to close packing of nonspherical atoms?
resolves10.1021/cg500958q
Halogen Bonding and Other Iodine Interactions in Crystals of Dihydrothiazolo(oxazino)quinolinium Oligoiodides from the Electron-Density Viewpoint
resolves10.1039/C9RA02116G
Solving the enigma of weak fluorine contacts in the solid state: a periodic DFT study of fluorinated organic crystals
resolves10.1021/acscatal.9b01914
Breaking Linear Scaling Relationships with Secondary Interactions in Confined Space: A Case Study of Methane Oxidation by Fe/ZSM-5 Zeolite
resolves10.1021/acs.cgd.6b01449
Peroxosolvates: Formation Criteria, H<sub>2</sub>O<sub>2</sub>Hydrogen Bonding, and Isomorphism with the Corresponding Hydrates
resolves10.1016/0022-2860(75)80094-9
Molecular force field and structure of hydrogen sulfide: recent microwave results
The 12 references without a DOI — listed, not checked
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no DOI — not checkede_1_2_6_12_1
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no DOI — not checkede_1_2_6_37_2
no DOI — not checkedhttps://github.com/IvanChernyshov/filter_los_csd.
no DOI — not checkedhttps://doi.org/10.4121/uuid:33c65813-e9ef-41f1-910c-660d18ecf097
no DOI — not checkedGaussian 16 Revision B.01 M. J. Frisch G. W. Trucks H. B. Schlegel G. E. Scuseria M. A. Robb J. R. Cheeseman G. Scalmani V. Barone G. A. Petersson H. Nakatsuji X. Li M. Caricato A. V. Marenich J. Bloino B. G. Janesko R. Gomperts B. Mennucci H. P. Hratchian J. V. Ortiz A. F. Izmaylov J. L. Sonnenberg D. Williams-Young F. Ding F. Lipparini F. Egidi J. Goings B. Peng A. Petrone T. Henderson D. Ranasinghe V. G. Zakrzewski J. Gao N. Rega G. Zheng W. Liang M. Hada M. Ehara K. Toyota R. Fukuda J. Hasegawa M. Ishida T. Nakajima Y. Honda O. Kitao H. Nakai T. Vreven K. Throssell J. A. Montgomery Jr. J. E. Peralta F. Ogliaro M. J. Bearpark J. J. Heyd E. N. Brothers K. N. Kudin V. N. Staroverov T. A. Keith R. Kobayashi J. Normand K. Raghavachari A. P. Rendell J. C. Burant S. S. Iyengar J. Tomasi M. Cossi J. M. Millam M. Klene C. Adamo R. Cammi J. W. Ochterski R. L. Martin K. Morokuma O. Farkas J. B. Foresman and D. J. Fox Gaussian Inc. Wallingford CT 2016.
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