4e5178c13816232fdced78e9cb302ad0 Martinez-Bachs_2024_ApJ_969_63.pdf cebc4c0b6d2094464a02774534c57fe680692bc6 Martinez-Bachs_2024_ApJ_969_63.pdf dcb1b837bc339eb5f31f7cc6b3a1127f2336068ad0342acc03b1586000319b98 Martinez-Bachs_2024_ApJ_969_63.pdf Title: Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations Subject: The Astrophysical Journal, 969(2024) 63. doi:10.3847/1538-4357/ad47b6 Keywords: Surface ices; Interstellar dust; Interstellar molecules; Dense interstellar clouds; Interstellar medium; Solid matter physics; Interstellar dust processes; Computational methods Creator: IOPP CreationDate: Fri Jun 28 12:32:03 2024 CEST ModDate: Fri Jun 28 12:32:26 2024 CEST Custom Metadata: yes Metadata Stream: yes Tagged: no UserProperties: no Suspects: no Form: AcroForm JavaScript: no Pages: 20 Encrypted: no Page size: 612 x 792 pts (letter) Page rot: 0 File size: 1735016 bytes Optimized: no PDF version: 1.7 name type encoding emb sub uni object ID ------------------------------------ ----------------- ---------------- --- --- --- --------- GMBGOC+AdvTTab7e17fd Type 1C WinAnsi yes yes no 553 0 GMBGNA+AdvOTf9433e2d+fb Type 1C Custom yes yes yes 517 0 GMBGMO+AdvOTb0c9bf5d Type 1C WinAnsi yes yes no 485 0 GMBGPE+AdvTT691e30a0 Type 1C WinAnsi yes yes no 581 0 GMBGMP+AdvOTb4af3d5d.I Type 1C WinAnsi yes yes no 489 0 GMBGBP+AdvOT9d60b855.B Type 1C WinAnsi yes yes no 457 0 GMBGMN+AdvOTf9433e2d+20 Type 1C WinAnsi yes yes no 481 0 GMBGNB+AdvOTb4af3d5d.I+fb Type 1C Custom yes yes yes 521 0 GMBGOE+AdvOTfe309fd3 Type 1C WinAnsi yes yes no 577 0 GMBGOD+AdvTTab7e17fd+22 Type 1C Custom yes yes no 557 0 GMBGCA+AdvOTf9433e2d Type 1C WinAnsi yes yes no 469 0 GMBIOJ+AdvOT8608a8d1 Type 1C WinAnsi yes yes no 137 0 GMBKPG+TimesLTStd-Roman Type 1C Custom yes yes yes 243 0 GMBKOB+EuclidSymbol-Italic CID TrueType Identity-H yes yes yes 201 0 GMBKLP+AdvTTab7e17fd+03 Type 1C Custom yes yes yes 307 0 GMBKOC+EuclidSymbol CID TrueType Identity-H yes yes yes 177 0 GMBLAH+AdvTTec1d2308.I+03 Type 1C Custom yes yes yes 224 0 GMBKOE+Euclid TrueType WinAnsi yes yes no 165 0 GMBKPF+TimesLTStd-Italic Type 1C Custom yes yes yes 263 0 GMBKMA+AdvOT8608a8d1+03 Type 1C Custom yes yes yes 303 0 GMBKNB+STIXGeneral-Regular Type 1C Custom yes yes yes 283 0 GMBLEH+EuclidFraktur TrueType WinAnsi yes yes no 153 0 GMBMGC+AdvOTdd3b7348.I Type 1C WinAnsi yes yes no 339 0 GMBLJG+EuclidExtra CID TrueType Identity-H yes yes yes 323 0 GMBMHD+AdvTTcad11138 Type 1C WinAnsi yes yes no 327 0 GMBMJD+AdvTTec1d2308.I Type 1C WinAnsi yes yes no 363 0 GMBMJE+AdvTTf2e4df62.I Type 1C WinAnsi yes yes no 351 0 GMCHDE+AdvTTab7e17fd+23 Type 1C Custom yes yes yes 371 0 GMCIKM+AdvTTec1d2308.I+22 Type 1C Custom yes yes yes 375 0 GMCJMH+AdvTTab7e17fd+20 Type 1C Custom yes yes yes 379 0 GMCJKH+AdvOT8608a8d1+02 Type 1C Custom yes yes yes 399 0 GMDNMN+AdvOT8608a8d1+01 Type 1C Custom yes yes yes 403 0 Jhove (Rel. 1.28.0, 2023-05-18) Date: 2025-02-28 02:11:04 CET RepresentationInformation: Martinez-Bachs_2024_ApJ_969_63.pdf ReportingModule: PDF-hul, Rel. 1.12.4 (2023-03-16) LastModified: 2025-02-27 13:15:48 CET Size: 1735016 Format: PDF Version: 1.7 Status: Well-Formed, but not valid SignatureMatches: PDF-hul ErrorMessage: Invalid indirect destination - 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referenced object 'bm_apjad47b6t1fna' cannot be found ID: PDF-HUL-122 Offset: 1119829 ErrorMessage: edu.harvard.hul.ois.jhove.module.pdf.PdfInvalidException: Invalid indirect destination - referenced object 'bm_apjad47b6t5fnf' cannot be found ID: PDF-HUL-122 Offset: 1119829 MIMEtype: application/pdf PDFMetadata: Objects: 993 FreeObjects: 1 IncrementalUpdates: 0 DocumentCatalog: PageLayout: SinglePage PageMode: UseOutlines Outlines: Item: Title: 1. Introduction Destination: A1 Item: Title: 2. Methodology Destination: A2 Children: Item: Title: 2.1. Water Ice Surface Models Destination: B1 Item: Title: 2.2. Computational Details Destination: B2 Item: Title: 2.3. Calculation of the BEs Destination: B3 Item: Title: 2.4. Calculation of the Desorption Rate Preexponential Factor Destination: B4 Item: Title: 3. Results Destination: A3 Children: Item: Title: 3.1. BEs for the Crystalline Systems Destination: B5 Children: Item: Title: 3.1.1. BEs Computed at DFT//HF-3c Destination: C1 Item: Title: 3.1.2. BEs Computed at DFT//DFT Destination: C2 Item: Title: 3.1.3. BE Refinement at O[CCSD(T)//DFT] Destination: C3 Item: Title: 3.1.4. Zero-point Energy Correction Destination: C4 Item: Title: 3.2. BEs on the ASW Destination: B6 Item: Title: 3.3. Desorption Rate Preexponential Factors Destination: B7 Item: Title: 4. Discussion Destination: A4 Children: Item: Title: 4.1. Comparison of the BEs between N-bearing and N-free Species Destination: B8 Item: Title: 4.2. Comparison of the BEs with Literature Values Destination: B9 Children: Item: Title: 4.2.1. Comparison with Experimental Works Destination: C5 Item: Title: 4.2.2. Comparison with Previous Theoretical Works Destination: C6 Item: Title: 4.3. Comparison of the Desorption Rate Preexponential Factors Destination: B10 Item: Title: 4.4. Astrophysical Implications Destination: B11 Item: Title: 5. Conclusions Destination: A5 Item: Title: Appendix AComputational Details Destination: A6 Item: Title: Appendix BBE Detailed Calculation Destination: A7 Children: Item: Title: B.1. BBSE-corrected Interaction Energies Destination: B12 Item: Title: Appendix CDispersion Contribution Destination: A8 Item: Title: Appendix DDeformation Energies Destination: A9 Item: Title: Appendix EHemibond Geometries for the CN Species Destination: A10 Item: Title: Appendix FDesorption Prefactors Destination: A11 Item: Title: References Destination: A12 Info: Title: Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations Subject: The Astrophysical Journal, 969(2024) 63. doi:10.3847/1538-4357/ad47b6 Keywords: Surface ices; Interstellar dust; Interstellar molecules; Dense interstellar clouds; Interstellar medium; Solid matter physics; Interstellar dust processes; Computational methods Creator: IOPP CreationDate: Fri Jun 28 13:02:03 CEST 2024 ModDate: Fri Jun 28 13:02:26 CEST 2024 ID: 0xa0ce960d36ef94c0deaa0501864cefca, 0x49241ab3b14298ac31441539ec3c5b2a Filters: FilterPipeline: FlateDecode FilterPipeline: DCTDecode Images: Image: 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dust Interstellar molecules Dense interstellar clouds Interstellar medium Solid matter physics Interstellar dust processes Computational methods Binding Energies of N-bearing Species on Interstellar Water Ice Mantles by Quantum Chemical Calculations 10.3847/1538-4357/ad47b6 http://dx.doi.org/10.3847/1538-4357/ad47b6 journal The Astrophysical Journal © 2024. The Author(s). 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348, 513 Annotation: Subtype: Link Rect: 468, 496, 481, 504 Annotation: Subtype: Link Rect: 481, 496, 510, 504 Annotation: Subtype: Link Rect: 478, 487, 501, 495 Annotation: Subtype: Link Rect: 501, 487, 534, 495 Annotation: Subtype: Link Rect: 500, 478, 513, 486 Annotation: Subtype: Link Rect: 513, 478, 546, 486 Annotation: Subtype: Link Rect: 467, 469, 481, 477 Annotation: Subtype: Link Rect: 481, 469, 514, 477 Annotation: Subtype: Link Rect: 487, 460, 504, 468 Annotation: Subtype: Link Rect: 489, 451, 503, 459 Annotation: Subtype: Link Rect: 503, 451, 529, 459 Annotation: Subtype: Link Rect: 423, 442, 443, 450 Annotation: Subtype: Link Rect: 443, 442, 484, 450 Annotation: Subtype: Link Rect: 548, 434, 568, 442 Annotation: Subtype: Link Rect: 327, 425, 359, 433 Annotation: Subtype: Link Rect: 551, 416, 568, 424 Annotation: Subtype: Link Rect: 327, 407, 358, 415 Annotation: Subtype: Link Rect: 358, 407, 379, 415 Annotation: Subtype: Link Rect: 348, 389, 405, 397 Annotation: Subtype: 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Annotation: Subtype: Link Rect: 474, 254, 566, 262 Annotation: Subtype: Link Rect: 508, 236, 530, 244 Annotation: Subtype: Link Rect: 530, 236, 551, 244 Annotation: Subtype: Link Rect: 434, 227, 449, 235 Annotation: Subtype: Link Rect: 449, 227, 479, 235 Annotation: Subtype: Link Rect: 478, 218, 506, 226 Annotation: Subtype: Link Rect: 506, 218, 543, 226 Annotation: Subtype: Link Rect: 508, 209, 523, 217 Annotation: Subtype: Link Rect: 523, 209, 548, 217 Annotation: Subtype: Link Rect: 480, 200, 501, 208 Annotation: Subtype: Link Rect: 501, 200, 546, 208 Annotation: Subtype: Link Rect: 513, 191, 535, 199 Thumb: true Checksum: 6cf83d3f Type: CRC32 Checksum: 4e5178c13816232fdced78e9cb302ad0 Type: MD5 Checksum: cebc4c0b6d2094464a02774534c57fe680692bc6 Type: SHA-1 Checksum: dcb1b837bc339eb5f31f7cc6b3a1127f2336068ad0342acc03b1586000319b98 Type: SHA-256