Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex. (Record no. 27735297)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 01150 a2200313 4500 |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250517182821.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 201803s 0 0 eng d |
| 022 ## - INTERNATIONAL STANDARD SERIAL NUMBER | |
| International Standard Serial Number | 1549-9626 |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1021/acs.jctc.7b00621 |
| Source of number or code | doi |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | NLM |
| Language of cataloging | eng |
| Transcribing agency | NLM |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Dohn, A O |
| 264 #0 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Date of production, publication, distribution, manufacture, or copyright notice | 20180313 |
| 245 00 - TITLE STATEMENT | |
| Title | Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex. |
| Medium | [electronic resource] |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. | |
| Name of publisher, distributor, etc. | Journal of chemical theory and computation |
| Date of publication, distribution, etc. | Dec 2017 |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 6010-6022 p. |
| Other physical details | digital |
| 500 ## - GENERAL NOTE | |
| General note | Publication Type: Journal Article |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Jónsson, E Ö |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Levi, G |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Mortensen, J J |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Lopez-Acevedo, O |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Thygesen, K S |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Jacobsen, K W |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Ulstrup, J |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Henriksen, N E |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Møller, K B |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Jónsson, H |
| 773 0# - HOST ITEM ENTRY | |
| Title | Journal of chemical theory and computation |
| Related parts | vol. 13 |
| -- | no. 12 |
| -- | p. 6010-6022 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://doi.org/10.1021/acs.jctc.7b00621">https://doi.org/10.1021/acs.jctc.7b00621</a> |
| Public note | Available from publisher's website |
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