Constrained Density Functional Theory
National Science Foundation (U.S.) (Grant CHE-1058219)
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Article |
| Language: | en_US |
| Published: |
American Chemical Society (ACS)
2012
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| Online Access: | http://hdl.handle.net/1721.1/74564 https://orcid.org/0000-0001-7111-0176 |
| _version_ | 1811076035803873280 |
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| author | Kaduk, Benjamin James Kowalczyk, Timothy Daniel Van Voorhis, Troy |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Kaduk, Benjamin James Kowalczyk, Timothy Daniel Van Voorhis, Troy |
| author_sort | Kaduk, Benjamin James |
| collection | MIT |
| description | National Science Foundation (U.S.) (Grant CHE-1058219) |
| first_indexed | 2024-09-23T10:15:05Z |
| format | Article |
| id | mit-1721.1/74564 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T10:15:05Z |
| publishDate | 2012 |
| publisher | American Chemical Society (ACS) |
| record_format | dspace |
| spelling | mit-1721.1/745642022-09-26T16:44:28Z Constrained Density Functional Theory Kaduk, Benjamin James Kowalczyk, Timothy Daniel Van Voorhis, Troy Massachusetts Institute of Technology. Department of Chemistry Van Voorhis, Troy Kaduk, Benjamin James Kowalczyk, Timothy Daniel Van Voorhis, Troy National Science Foundation (U.S.) (Grant CHE-1058219) 2012-11-05T20:39:53Z 2012-11-05T20:39:53Z 2011-11 2011-05 Article http://purl.org/eprint/type/JournalArticle 0009-2665 1520-6890 http://hdl.handle.net/1721.1/74564 Kaduk, Benjamin, Tim Kowalczyk, and Troy Van Voorhis. “Constrained Density Functional Theory.” Chemical Reviews 112.1 (2012): 321–370. © 2012 American Chemical Society https://orcid.org/0000-0001-7111-0176 en_US http://dx.doi.org/ 10.1021/cr200148b Chemical Reviews Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf American Chemical Society (ACS) Prof. van Voorhis via Erja Kajosalo |
| spellingShingle | Kaduk, Benjamin James Kowalczyk, Timothy Daniel Van Voorhis, Troy Constrained Density Functional Theory |
| title | Constrained Density Functional Theory |
| title_full | Constrained Density Functional Theory |
| title_fullStr | Constrained Density Functional Theory |
| title_full_unstemmed | Constrained Density Functional Theory |
| title_short | Constrained Density Functional Theory |
| title_sort | constrained density functional theory |
| url | http://hdl.handle.net/1721.1/74564 https://orcid.org/0000-0001-7111-0176 |
| work_keys_str_mv | AT kadukbenjaminjames constraineddensityfunctionaltheory AT kowalczyktimothydaniel constraineddensityfunctionaltheory AT vanvoorhistroy constraineddensityfunctionaltheory |