The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Q‐Chem: an engine for innovation
Abstract
Q‐Chem is a general‐purpose electronic structure package featuring a variety of established and new methods implemented using innovative algorithms that enable fast calculations of large systems on regular laboratory workstations using density functional and wave‐function‐based approaches. It features an integrated graphical interface and input generator, a large selection of functionals and correlation approaches including methods for electronically excited states and open‐shell systems. In addition to serving the computational chemistry community, Q‐Chem also provides an excellent development platform. © 2012 John Wiley & Sons, Ltd. This article is categorized under: Software > Quantum Chemistry
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Cites
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
Chai, J.-D., & Head-Gordon, M. (2008) · Physical Chemistry Chemical Physics · doi:10.1039/b810189b · Cited by 14,648
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Soteras Gutiérrez, I., Lin, F.-Y., Vanommeslaeghe, K., Lemkul, J. A., Armacost, K. A., Brooks, C. L., & MacKerell, A. D. (2016) · Bioorganic & Medicinal Chemistry · doi:10.1016/j.bmc.2016.06.034 · Cited by 283
Rimmele, M., Nogala, W., Seif-Eddine, M., Roessler, M. M., Heeney, M., Plasser, F., & Glöcklhofer, F. (2021) · Organic Chemistry Frontiers · doi:10.1039/d1qo00901j · Cited by 20
Metadata
- Authors
- Krylov, A. I., & Gill, P. M. W.
- Venue
- WIREs Computational Molecular Science
- Publisher
- Wiley
- Published
- 2012-11-12
- Volume
- 3
- Issue
- 3
- Pages
- 317-326
- ISSN
- 1759-0876 (ISSN-L)
- 1759-0884
- OpenAlex
- W2137152325
- Cited by
- 337
- References
- 1
- FWCI
- 17.78
- Type
- journal article
- Language
- en
- Open access
- closed
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