The DOI matches its Crossref record; 5 of the 5 references it cites were found in a registry or an index.
Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States
Abstract
A linear synchronous transit or quadratic synchronous transit approach is used to get closer to the quadratic region of the transition state and then quasi‐newton or eigenvector following methods are used to complete the optimization. With an empirical estimate of the hessian, these methods converge efficiently for a variety of transition states from a range of starting structures.
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
Optimization of equilibrium geometries and transition structures
Schlegel, H. B. (1982) · Journal of Computational Chemistry · doi:10.1002/jcc.540030212 · Cited by 3,890
Halgren, T. A., & Lipscomb, W. N. (1977) · Chemical Physics Letters · doi:10.1016/0009-2614(77)80574-5 · Cited by 2,009
Wilson, E. B., Decius, J. G., Cross, P. G., & Lagemann, R. T. (1955) · American Journal of Physics · doi:10.1119/1.1934101 · Cited by 659
Bell, S., & Crighton, J. S. (1984) · The Journal of Chemical Physics · doi:10.1063/1.446996 · Cited by 235
Some Practical Suggestions for Optimizing Geometries and Locating Transition States
Schlege, H. B. (1989) · Springer eBooks · doi:10.1007/978-94-009-2313-3_2 · Cited by 57
Cited by
Using redundant internal coordinates to optimize equilibrium geometries and transition states
Peng, C., Ayala, P. Y., Schlegel, H. B., & Frisch, M. J. (1996) · Journal of Computational Chemistry · doi:10.1002/(sici)1096-987x(19960115)17:1<49::aid-jcc5>3.0.co;2-0 · Cited by 2,749
Self-citationA generalized synchronous transit method for transition state location
Govind, N., Petersen, M., Fitzgerald, G., King-Smith, D., & Andzelm, J. (2003) · Computational Materials Science · doi:10.1016/s0927-0256(03)00111-3 · Cited by 1,305
Exploring potential energy surfaces for chemical reactions: An overview of some practical methods
Schlegel, H. B. (2003) · Journal of Computational Chemistry · doi:10.1002/jcc.10231 · Cited by 395
Hratchian, H. P., & Schlegel, H. B. (2005) · Theory and Applications of Computational Chemistry · doi:10.1016/b978-044451719-7/50053-6 · Cited by 360
Application of the PM6 method to modeling proteins
Stewart, J. J. P. (2009) · Journal of Molecular Modeling · doi:10.1007/s00894-008-0420-y · Cited by 323
Metadata
- Authors
- Peng, C., & Bernhard Schlegel, H.
- Venue
- Israel Journal of Chemistry
- Publisher
- Wiley
- Published
- 1993-01
- Volume
- 33
- Issue
- 4
- Pages
- 449-454
- ISSN
- 0021-2148 (ISSN-L)
- 1869-5868
- OpenAlex
- W1975755749
- Cited by
- 2,076
- References
- 5
- FWCI
- 0.74
- 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
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States. https://app.cochat.ai/papers/10.1002/ijch.199300051
- The paper
- Peng, C., & Bernhard Schlegel, H. (1993). Combining Synchronous Transit and Quasi‐Newton Methods to Find Transition States. Israel Journal of Chemistry. https://doi.org/10.1002/ijch.199300051
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.
