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Polycyclic Aromatic Hydrocarbon Structure Index
NIST Special Publication 922 Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899-0001 December 1997 revised August 2020 U.S. Department of Commerce William M. Daley, Secretary Technology Administration Gary R. Bachula, Acting Under Secretary for Technology National Institute of Standards and Technology Raymond G. Kammer, Director Polycyclic Aromatic Hydrocarbon Structure Index Lane C. Sander and Stephen A. Wise Chemical Science and Technology Laboratory National Institute of Standards and Technology Gaithersburg, MD 20899 This tabulation is presented as an aid in the identification of the chemical structures of polycyclic aromatic hydrocarbons (PAHs). The Structure Index consists of two parts: (1) a cross index of named PAHs listed in alphabetical order, and (2) chemical structures including ring numbering, name(s), Chemical Abstract Service (CAS) Registry numbers, chemical formulas, molecular weights, and length-to-breadth ratios (L/B) and shape descriptors of PAHs listed in order of increasing molecular weight. Where possible, synonyms (including those employing alternate and/or obsolete naming conventions) have been included. Synonyms used in the Structure Index were compiled from a variety of sources including “Polynuclear Aromatic Hydrocarbons Nomenclature Guide,” by Loening, et al. [1], “Analytical Chemistry of Polycyclic Aromatic Compounds,” by Lee et al. [2], “Calculated Molecular Properties of Polycyclic Aromatic Hydrocarbons,” by Hites and Simonsick [3], “Handbook of Polycyclic Hydrocarbons,” by J. R. Dias [4], “The Ring Index,” by Patterson and Capell [5], “CAS 12th Collective Index,” [6] and “Aldrich Structure Index” [7]. In this publication the IUPAC preferred name is shown in large or bold type. -
Mutually Exclusive Hole and Electron
Electronic Supplementary Material (ESI) for Chemical Science. This journal is © The Royal Society of Chemistry 2021 Mutually Exclusive Hole and Electron Transfer Coupling in Cross Stacked Acenes Alfy Benny, Remya Ramakrishnan, and Mahesh Hariharan* School of Chemistry, Indian Institute of Science Education and Research Thiruvananthapuram, Vithura, Thiruvananthapuram, Kerala, India 695551 Electronic Supplementary Information (ESI) Contents Section A: Materials and Methods .................................................................................................... 1 Computational Methods ...................................................................................................................... 2 Transition charge method utilizing the transition charge from electrostatic potential (TrESP)3 ....... 2 Charge Transport Mobility5 .................................................................................................................. 2 Section B: Tables ............................................................................................................................... 3 Table S1: HOMO-1, HOMO, LUMO, and LUMO+1 energy for Greek cross (+) stacked acene systems (di = 4 Å). ............................................................................................................................................... 3 Table S2: Hole and electron reorganization energies of linear and non-linear acenes. ....................... 4 Table S3: Coulombic coupling (JCoul) for the eclipsed dimers of the selected acene -
WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T
(12) INTERNATIONAL APPLICATION PUBLISHED UNDER THE PATENT COOPERATION TREATY (PCT) (19) World Intellectual Property Organization International Bureau (10) International Publication Number (43) International Publication Date WO 2016/074683 Al 19 May 2016 (19.05.2016) W P O P C T (51) International Patent Classification: (81) Designated States (unless otherwise indicated, for every C12N 15/10 (2006.01) kind of national protection available): AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, (21) International Application Number: BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DK, DM, PCT/DK20 15/050343 DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, (22) International Filing Date: HN, HR, HU, ID, IL, IN, IR, IS, JP, KE, KG, KN, KP, KR, 11 November 2015 ( 11. 1 1.2015) KZ, LA, LC, LK, LR, LS, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, (25) Filing Language: English PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SA, SC, (26) Publication Language: English SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW. (30) Priority Data: PA 2014 00655 11 November 2014 ( 11. 1 1.2014) DK (84) Designated States (unless otherwise indicated, for every 62/077,933 11 November 2014 ( 11. 11.2014) US kind of regional protection available): ARIPO (BW, GH, 62/202,3 18 7 August 2015 (07.08.2015) US GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, ST, SZ, TZ, UG, ZM, ZW), Eurasian (AM, AZ, BY, KG, KZ, RU, (71) Applicant: LUNDORF PEDERSEN MATERIALS APS TJ, TM), European (AL, AT, BE, BG, CH, CY, CZ, DE, [DK/DK]; Nordvej 16 B, Himmelev, DK-4000 Roskilde DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, (DK). -
Attachment 3-1 Guidance for Developing Ecological Soil
Attachment 3-1 Guidance for Developing Ecological Soil Screening Levels (Eco-SSLs) Eco-SSL Standard Operating Procedure (SOP # 1): Plant and Soil Invertebrate Literature Search and Acquisition OSWER Directive 92857-55 November 2003 This page intentionally left blank OVERVIEW Currently, there is a lack of clear guidance in setting terrestrial effect thresholds when conducting risk assessments. Without an EPA-approved, peer-reviewed, ecologically-based terrestrial effect database, the process to develop thresholds is problematic both to EPA, other federal agencies, states, and concerned private parties. Identification of published toxicity studies on invertebrates, microbial processes and plants is a key step in the derivation of benchmarks. The purpose of the Task Group 4, Standard Operating Procedure Number 1: Literature Search and Acquisition (referred to as TG4-SOP#1) is to document procedures used to identify and acquire potentially relevant toxicology literature for use in setting ecological soil screening levels. The literature search strategy is designed to locate worldwide terrestrial toxicity literature that includes the effects of chemicals of concern on terrestrial soil-dwelling invertebrates and plants. The literature acquisition process is designed to ensure timely acquisition of relevant publications. LITERATURE IDENTIFICATION Potentially relevant literature for developing ecological soil screening levels (Eco-SSLs) is identified by examining hard copies of relevant journals, bibliographies and guidance publications and through the use of a comprehensive computerized literature search strategy. These procedures are designed to locate worldwide terrestrial toxicology literature that includes the effects of specific toxic substances with an emphasis on exposure via soil. Paper-based Literature Identification The paper-based literature identification process includes the scanning of relevant review article bibliographies and key journals held in the U.S. -
Solid-Liquid Transitions in Homogenous Ovalene, Hexabenzocoronene and Circumcoronene Clusters: a Molecular Dynamics Study
Solid-liquid transitions in homogenous ovalene, hexabenzocoronene and circumcoronene clusters: A molecular dynamics study Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273 Solid-liquid transitions in homogenous ovalene, hexabenzocoronene and circumcoronene clusters: A molecular dynamics study Dongping Chen 1, Jethro Akroyd 1, Sebastian Mosbach 1, Daniel Opalka 2, Markus Kraft 1 released: 21st April 2014 1 Department of Chemical Engineering 2 Department of Chemistry and Biotechnology University of Cambridge University of Cambridge Lensfield Road New Museums Site Cambridge, CB2 1EW Pembroke Street United Kingdom Cambridge, CB2 3RA United Kingdom E-mail: [email protected] Preprint No. 143 Keywords: PAH, cluster, melting point, extrapolation, bulk Edited by Computational Modelling Group Department of Chemical Engineering and Biotechnology University of Cambridge New Museums Site Pembroke Street Cambridge CB2 3RA CoMo United Kingdom GROUP Fax: + 44 (0)1223 334796 E-Mail: [email protected] World Wide Web: http://como.cheng.cam.ac.uk/ Abstract The melting behavior of ovalene (C32H14), hexabenzocoronene (C42H18) and cir- cumcoronene (C54H18) clusters is analyzed using molecular dynamics simulations. The evolution of the intermolecular energy and the Lindemann Index is used to de- termine the cluster melting points. The bulk melting point of each material is esti- mated by linear extrapolation of the cluster simulation data. The value obtained for ovalene is in good agreement with the phase-transition temperature determined by experiment. We find that the bulk melting point of peri-condensed PAHs is linearly related to their size. The extrapolated hexabenzocoronene and circumcoronene bulk melting points agree with this linear relationship very well. A phase diagram is con- structed which classifies the phase of a cluster into three regions: a liquid region, a size-dependent region and a solid region according to the size of the PAHs which build up the cluster. -
Material Composition Declaration
IPC Form Type * Distribute Version 2.0 Sectionals - MaterialInfo Subsectionals - A- C Supplier Information Company Name Contemporary Controls Request Document ID EISK_series_MCD Company Unique ID 363857474 Response Date 2021-07-30-12:00 Contact Name Neil Maloney Contact Title Manufacturing Engineer Contact Phone (630) 963 7070; Contact Email [email protected] Email Type Address Internal Address Street Address City Address State Address Contry Address ZIP Code Address Type Contact Comment Authorized Representative Neil Maloney Representative Title Manufacturing Engineer Representative Phone (630) 963 7070; Representative Email [email protected] Email Type Address Internal Address Street Address City Address State Address Contry Address ZIP Code Address Type Contact Comment Supplier Comment Uncertainty Statement Legal Statement Supplier Acceptance true Legal Declaration Standard Legal Statement Supplier certifies that it gathered the provided information and such information is true and correct to the best of its knowledge and belief, as of the date that Supplier completes this form. Supplier acknowledges that Company will rely on this certification in determining the compliance of its products. Company acknowledges that Supplier may have relied on information provided by others in completing this form, and that Supplier may not have independently verified such information. However, in situations where Supplier has not independently verified information provided by others, Supplier agrees that, at a minimum, its suppliers have provided certifications regarding their contributions to the part(s), and those certifications are at least as comprehensive as the certification in this paragraph. If the Company and the Supplier enter into a written agreement with respect to the identified part(s), the terms and conditions of that agreement, including any warranty rights and/or remedies provided as part of that agreement, will be the sole and exclusive source of the Supplier’s liability Attachment . -
20210311 IAEG AD-DSL V5.0 for Pdf.Xlsx
IAEGTM AD-DSL Release Version 4.1 12-30-2020 Authority: IAEG Identity: AD-DSL Version number: 4.1 Issue Date: 2020-12-30 Key Yellow shading indicates AD-DSL family group entries, which can be expanded to display a non-exhaustive list of secondary CAS numbers belonging to the family group Substance Identification Change Log IAEG Regulatory Date First Parent Group IAEG ID CAS EC Name Synonyms Revision Date ECHA ID Entry Type Criteria Added IAEG ID IAEG000001 1327-53-3 215-481-4 Diarsenic trioxide Arsenic trioxide R1;R2;D1 2015-03-17 2015-03-17 100.014.075 Substance Direct Entry IAEG000002 1303-28-2 215-116-9 Diarsenic pentaoxide Arsenic pentoxide; Arsenic oxide R1;R2;D1 2015-03-17 2015-03-17 100.013.743 Substance Direct Entry IAEG000003 15606-95-8 427-700-2 Triethyl arsenate R1;R2;D1 2015-03-17 2017-08-14 100.102.611 Substance Direct Entry IAEG000004 7778-39-4 231-901-9 Arsenic acid R1;R2;D1 2015-03-17 2015-03-17 100.029.001 Substance Direct Entry IAEG000005 3687-31-8 222-979-5 Trilead diarsenate R1;R2;D1 2015-03-17 2017-08-14 100.020.890 Substance Direct Entry IAEG000006 7778-44-1 231-904-5 Calcium arsenate R1;R2;D1 2015-03-17 2017-08-14 100.029.003 Substance Direct Entry IAEG000009 12006-15-4 234-484-1 Cadmium arsenide Tricadmium diarsenide R1;R2;D1 2017-08-14 2017-08-14 Substance Direct Entry IAEG000021 7440-41-7 231-150-7 Beryllium (Be) R2 2015-03-17 2019-01-24 Substance Direct Entry IAEG000022 1306-19-0 215-146-2 Cadmium oxide R1;R2;D1 2015-03-17 2017-08-14 100.013.770 Substance Direct Entry IAEG000023 10108-64-2 233-296-7 Cadmium -
Chemical Names and CAS Numbers Final
Chemical Abstract Chemical Formula Chemical Name Service (CAS) Number C3H8O 1‐propanol C4H7BrO2 2‐bromobutyric acid 80‐58‐0 GeH3COOH 2‐germaacetic acid C4H10 2‐methylpropane 75‐28‐5 C3H8O 2‐propanol 67‐63‐0 C6H10O3 4‐acetylbutyric acid 448671 C4H7BrO2 4‐bromobutyric acid 2623‐87‐2 CH3CHO acetaldehyde CH3CONH2 acetamide C8H9NO2 acetaminophen 103‐90‐2 − C2H3O2 acetate ion − CH3COO acetate ion C2H4O2 acetic acid 64‐19‐7 CH3COOH acetic acid (CH3)2CO acetone CH3COCl acetyl chloride C2H2 acetylene 74‐86‐2 HCCH acetylene C9H8O4 acetylsalicylic acid 50‐78‐2 H2C(CH)CN acrylonitrile C3H7NO2 Ala C3H7NO2 alanine 56‐41‐7 NaAlSi3O3 albite AlSb aluminium antimonide 25152‐52‐7 AlAs aluminium arsenide 22831‐42‐1 AlBO2 aluminium borate 61279‐70‐7 AlBO aluminium boron oxide 12041‐48‐4 AlBr3 aluminium bromide 7727‐15‐3 AlBr3•6H2O aluminium bromide hexahydrate 2149397 AlCl4Cs aluminium caesium tetrachloride 17992‐03‐9 AlCl3 aluminium chloride (anhydrous) 7446‐70‐0 AlCl3•6H2O aluminium chloride hexahydrate 7784‐13‐6 AlClO aluminium chloride oxide 13596‐11‐7 AlB2 aluminium diboride 12041‐50‐8 AlF2 aluminium difluoride 13569‐23‐8 AlF2O aluminium difluoride oxide 38344‐66‐0 AlB12 aluminium dodecaboride 12041‐54‐2 Al2F6 aluminium fluoride 17949‐86‐9 AlF3 aluminium fluoride 7784‐18‐1 Al(CHO2)3 aluminium formate 7360‐53‐4 1 of 75 Chemical Abstract Chemical Formula Chemical Name Service (CAS) Number Al(OH)3 aluminium hydroxide 21645‐51‐2 Al2I6 aluminium iodide 18898‐35‐6 AlI3 aluminium iodide 7784‐23‐8 AlBr aluminium monobromide 22359‐97‐3 AlCl aluminium monochloride -
Printed Copies for Reference Only
Supplier Environmental Health and Safety Number:CHI-EHS30-000 Revision:A Specification 1 APPROVERS INFORMATION PREPARED BY: Jennilyn Rivera Dinglasan Title: EHS DATE: 5/3/2017 2:35:30 AM APPROVED BY: Jennilyn DATE: 8/10/2017 7:00:05 Rivera Dinglasan Title: EHS PM DATE: 7/21/2017 2:43:17 APPROVED BY: Aline Zeng Title: Purchasing AM APPROVED BY: Bill Hemrich Title: Purchasing DATE: 6/1/2017 3:28:35 PM DATE: 6/11/2017 11:05:48 APPROVED BY: Jade Yuan Title: Purchasing PM APPROVED BY: Matthew DATE: 5/26/2017 6:54:14 Briggs Title: Purchasing AM DATE: 5/26/2017 3:56:07 APPROVED BY: Michael Ji Title: Purchasing AM DATE: 8/31/2017 4:24:35 APPROVED BY: Olga Chen Title: Purchasing AM APPROVED BY: Alfredo DATE: 6/2/2017 11:54:20 Heredia Title: Supplier Quality AM APPROVED BY: Audrius DATE: 5/31/2017 1:20:01 Sutkus Title: Supplier Quality AM DATE: 5/26/2017 2:03:53 APPROVED BY: Sam Peng Title: Supplier Quality AM APPROVED BY: Arsenio DATE: 6/28/2017 2:43:49 Mabao Cesista Jr. Title: EHS Manager AM Printed copies for reference only Printed copies for reference only Supplier Environmental Health and Safety Number:CHI-EHS30-000 Revision:A Specification 1 1.0 Purpose and Scope 1.1 This specification provides general requirements to suppliers regarding Littelfuse Inc’s EHS specification with regards to regulatory compliance, EHS management systems, banned and restricted substances, packaging, and product environmental content reporting. 1.2 This specification applies to all equipment, materials, parts, components, packaging, or products supplied to Littelfuse, Inc. -
Draft Chemicals (Management and Safety) Rules, 20Xx
Draft Chemicals (Management and Safety) Rules, 20xx In exercise of the powers conferred by Sections 3, 6 and 25 of the Environment (Protection) Act, 1986 (29 of 1986), and in supersession of the Manufacture, Storage and Import of Hazardous Chemical Rules, 1989 and the Chemical Accidents (Emergency Planning, Preparedness and Response) Rules, 1996, except things done or omitted to be done before such supersession, the Central Government hereby makes the following Rules relating to the management and safety of chemicals, namely: 1. Short Title and Commencement (1) These Rules may be called the Chemicals (Management and Safety) Rules, 20xx. (2) These Rules shall come into force on the date of their publication in the Official Gazette. Chapter I Definitions, Objectives and Scope 2. Definitions (1) In these Rules, unless the context otherwise requires (a) “Act” means the Environment (Protection) Act, 1986 (29 of 1986) as amended from time to time; (b) “Article” means any object whose function is determined by its shape, surface or design to a greater degree than its chemical composition; (c) “Authorised Representative” means a natural or juristic person in India who is authorised by a foreign Manufacturer under Rule 6(2); (d) “Chemical Accident” means an accident involving a sudden or unintended occurrence while handling any Hazardous Chemical, resulting in exposure (continuous, intermittent or repeated) to the Hazardous Chemical causing death or injury to any person or damage to any property, but does not include an accident by reason only -
Compound Name
Indicate Type of Compound: Compound Name Write your answer here I = ionic, A= acid, M = molecular manganese (II) bromite I Mn(BrO2)2 manganese (II) phosphite I Mn3(PO3)2 rubidium sulfite I Rb2SO3 hydroselenic acid A H2Se(aq) sodium perbromate I NaBrO4 cobalt (III) chromate I Co2(CrO4)3 antimony (V) nitrite I Sb(NO2)5 chloric acid A HClO3(aq) pentaselenium decabromide M Se5Br10 disulfur decachloride M S2Cl10 nickel (III) nitrate I Ni(NO3)3 copper (II) bromide I CuBr2 nickel (II) hydrogen phosphate I NiHPO4 iron (II) hydrogen sulfate I Fe(HSO4)2 bismuth (V) acetate I Bi(C2H3O2)5 sulfurous acid A H2SO3(aq) sulfuric acid A H2SO4(aq) nickel (II) chloride I NiCl2 tin (IV) phosphate I Sn3(PO4)4 mercury (I) iodate I Hg2(IO3)2 Compound Indicate Type of Compound: Write your answer here Formula I = ionic, A= acid, M = molecular Co(HCO3)2 I (with VOS metal) cobalt (II) hydrogen carbonate Cs2S I cesium sulfide Ca(IO2)2 I calcium iodite Ba2C I barium carbide Mn(CO3)2 I (with VOS metal) manganese (IV) carbonate CuBrO2 I (with VOS metal) copper (I) bromite AgHS I silver hydrogen sulfide C9N10 M nonacarbon decanitride CrI2 I (with VOS metal) chromium (II) iodide Mg(NO3)2 I magnesium nitrate HC2H3O2 (aq) A acetic acid HClO2 (aq) A chlorous acid Be(IO4)2 I beryllium periodate HIO4(aq) A periodic acid BaO I barium oxide Cd(BrO3)2 I cadmium bromate Bi(CN)5 I (with VOS metal) bismuth (V) cyanide AuHS I (with VOS metal) gold (I) hydrogen sulfide AuClO I (with VOS metal) gold (I) hypochlorite Na2CO3 I sodium carbonate Indicate Type of Compound: Compound Name -
Validation of HVOF WC/Co Thermal Spray Coatings As a Replacement for Hard Chrome Plating on Aircraft Landing Gear
Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6170--04-8762 Validation of HVOF WC/Co Thermal Spray Coatings as a Replacement for Hard Chrome Plating on Aircraft Landing Gear BRUCE D. SARTWELL Surface Chemistry Branch, Chemistry Division KEITH O. LEGG Rowan Technology Group, Libertyville, IL JERRY SCHELL GE Aircraft Engines, Cincinnati, OH JOHN SAUER Sauer Engineering, Cincinnati, OH PAUL NATISHAN Center for Corrosion Science, Chemistry Division DENNIS DULL AND JOHN FALKOWSKI Boeing Corporation, Seattle, WA PHILIP BRETZ Metcut Research, Cincinnati, OH JON DEVEREAUX Naval Aviation Depot, Jacksonville, FL CRAIG EDWARDS General Atomics, Ogden, UT DONALD PARKER NASA Kennedy Space Center, Cape Canaveral, FL March 31, 2004 Approved for public release: distribution is unlimited. TABLE OF CONTENTS Table of Contents................................................................................................................iii List of Figures.....................................................................................................................ix List of Tables..................................................................................................................... xv List of Acronyms ............................................................................................................. xix Acknowledgments............................................................................................................ xxi 1. Background................................................................................................................1