The DOI matches its Crossref record; 28 of the 28 references it cites were found in a registry or an index.
Structure of Water Clusters. The Contribution of Many-Body Forces, Monomer Relaxation, and Vibrational Zero-Point Energy
Abstract
The vibrationally averaged properties of small water clusters from the dimer to the hexamer are discussed. The potential energy surface used contains explicit many-body terms which allows the non-pairwise interactions to be considered. The ground vibrational states are calculated accurately using a diffusion quantum Monte Carlo algorithm which gives vibrationally averaged rotational constants in good agreement with experiment. The many-body forces cause a destabilization of the more closed structures, and there is a significant variation in the intermolecular zero-point energies for different structures. Cyclic structures are easily the most stable for the trimer and tetramer; in the latter case, this is probably due to the three- and four-body forces. The cyclic pentamer is also probably the structure with the highest dissociation energy when all effects are considered. For the hexamer, a noncyclic cagelike structure is found to be most stable and its stability is due to a relatively low zero-point energy.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Boys, S. F., & Bernardi, F. (1970) · Molecular Physics · doi:10.1080/00268977000101561 · Cited by 22,188
Note on an Approximation Treatment for Many-Electron Systems
Møller, C., & Plesset, M. S. (1934) · Physical Review · doi:10.1103/physrev.46.618 · Cited by 14,614
Dunning, T. H. (1970) · The Journal of Chemical Physics · doi:10.1063/1.1674408 · Cited by 5,032
Interaction of the van der Waals Type Between Three Atoms
Axilrod, B. M., & Teller, E. (1943) · The Journal of Chemical Physics · doi:10.1063/1.1723844 · Cited by 1,672
A random-walk simulation of the Schrödinger equation: H+3
Anderson, J. B. (1975) · The Journal of Chemical Physics · doi:10.1063/1.431514 · Cited by 957
Xantheas, S. S., & Dunning, T. H. (1993) · The Journal of Chemical Physics · doi:10.1063/1.465599 · Cited by 837
The structure of water dimer from molecular beam electric resonance spectroscopy
Dyke, T. R., Mack, K. M., & Muenter, J. S. (1977) · The Journal of Chemical Physics · doi:10.1063/1.433969 · Cited by 762
Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many-body interactions
Xantheas, S. S. (1994) · The Journal of Chemical Physics · doi:10.1063/1.466846 · Cited by 716
Characterization of a cage form of the water hexamer
Liu, K., Brown, M. G., Carter, C., Saykally, R. J., Gregory, J. K., & Clary, D. C. (1996) · Nature · doi:10.1038/381501a0 · Cited by 661
Self-citationPartially deuterated water dimers: Microwave spectra and structure
Odutola, J. A., & Dyke, T. R. (1980) · The Journal of Chemical Physics · doi:10.1063/1.439795 · Cited by 654
Cited by
Structure and Stability of Water Clusters (H2O)n, n = 8−20: An Ab Initio Investigation
Maheshwary, S., Patel, N., Sathyamurthy, N., Kulkarni, A. D., & Gadre, S. R. (2001) · The Journal of Physical Chemistry A · doi:10.1021/jp013141b · Cited by 522
Confinement effects and acid strength in zeolites
Grifoni, E., Piccini, G., Lercher, J. A., Glezakou, V.-A., Rousseau, R., & Parrinello, M. (2021) · Nature Communications · doi:10.1038/s41467-021-22936-0 · Cited by 203
Decomposition mechanism of thiophene compounds in heavy oil under supercritical water
Qi, W., Li, Y., Liu, Z., Li, X., Jiang, Y., & Sun, H. (2020) · Chemical Engineering Science · doi:10.1016/j.ces.2020.115979 · Cited by 18
Metadata
- Authors
- Gregory, J. K., & Clary, D. C.
- Venue
- The Journal of Physical Chemistry
- Publisher
- American Chemical Society (ACS)
- Published
- 1996-01-01
- Volume
- 100
- Issue
- 46
- Pages
- 18014-18022
- ISSN
- 0022-3654 (ISSN-L)
- 1541-5740
- OpenAlex
- W2020124883
- Cited by
- 261
- References
- 28
- FWCI
- 12.48
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
