All Stories

  1. A harmonized chemical monitoring database for support of exposure assessments
  2. Uncertainty estimation strategies for quantitative non-targeted analysis
  3. Development of a Flame Retardant and an Organohalogen Flame Retardant Chemical Inventory
  4. Integrative Exposomic, Transcriptomic, Epigenomic Analyses of Human Placental Samples Links Understudied Chemicals to Preeclampsia
  5. Systematic Evidence Map for Over One Hundred and Fifty Per- and Polyfluoroalkyl Substances (PFAS)
  6. Curation of a list of chemicals in biosolids from EPA National Sewage Sludge Surveys & Biennial Review Reports
  7. Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research
  8. Identification of Branched and Linear Forms of PFOA and Potential Precursors: A User-Friendly SMILES Structure-based Approach
  9. Predicting molecular initiating events using chemical target annotations and gene expression
  10. Assessing the External Exposome Using Wearable Passive Samplers and High-Resolution Mass Spectrometry among South African Children Participating in the VHEMBE Study
  11. In Silico Methods for Environmental Risk Assessment: Principles, Tiered Approaches, Applications, and Future Perspectives
  12. An Introduction to the Benchmarking and Publications for Non-Targeted Analysis Working Group
  13. ELIXIR and Toxicology: a community in development
  14. ACD/Structure Elucidator: 20 Years in the History of Development
  15. Predicting compound amenability with liquid chromatography-mass spectrometry to improve non-targeted analysis
  16. Sourcing data on chemical properties and hazard data from the US-EPA CompTox Chemicals Dashboard: A practical guide for human risk assessment
  17. Assessing the external exposome of South African children using wearable passive samplers and high-resolution mass spectrometry
  18. Development and Application of Liquid Chromatographic Retention Time Indices in HRMS-Based Suspect and Nontarget Screening
  19. Chemical Characterization of Recycled Consumer Products Using Suspect Screening Analysis
  20. FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality
  21. Bioactivity Profiling of Per- and Polyfluoroalkyl Substances (PFAS) Identifies Potential Toxicity Pathways Related to Molecular Structure
  22. Using the US EPA CompTox Chemicals Dashboard to interpret targeted and non-targeted GC–MS analyses from human breath and other biological media
  23. Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard
  24. The Tox21 10K Compound Library: Collaborative Chemistry Advancing Toxicology
  25. Revisiting Five Years of CASMI Contests with EPA Identification Tools
  26. Repurposing Quaternary Ammonium Compounds as Potential Treatments for COVID-19
  27. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
  28. In silico MS/MS spectra for identifying unknowns: a critical examination using CFM-ID algorithms and ENTACT mixture samples
  29. EPA’s DSSTox database: History of development of a curated chemistry resource supporting computational toxicology research
  30. Open-source QSAR models for pKa prediction using multiple machine learning approaches
  31. Centralized resource for chemicals from the human volatilome in an interactive open-sourced database
  32. Linking in silico MS/MS spectra with chemistry data to improve identification of unknowns
  33. Supporting non-target identification by adding hydrogen deuterium exchange MS/MS capabilities to MetFrag
  34. The next generation blueprint of computational toxicology at the U.S. Environmental Protection Agency
  35. Using prepared mixtures of ToxCast chemicals to evaluate non-targeted analysis (NTA) method performance
  36. Construction of a per- and polyfluoroalkyl substances (PFAS) screening library
  37. Connecting environmental exposure and neurodegeneration using cheminformatics and high resolution mass spectrometry: potential and challenges
  38. Generalized Read-Across (GenRA): A workflow implemented into the EPA CompTox Chemicals Dashboard
  39. EPA’s non-targeted analysis collaborative trial (ENTACT): genesis, design, and initial findings
  40. An ecotoxicological view on neurotoxicity assessment
  41. Evidence for Cross Species Extrapolation of Mammalian-Based High-Throughput Screening Assay Results
  42. A Qualitative Modeling Approach for Whole Genome Prediction Using High-Throughput Toxicogenomics Data and Pathway-Based Validation
  43. Free access platforms for integrating environmental chemical exposure and hazard information
  44. Rapid experimental measurements of physicochemical properties to inform models and testing
  45. “MS-Ready” structures for non-targeted high-resolution mass spectrometry screening studies
  46. The Chemical and Products Database, a resource for exposure-relevant data on chemicals in consumer products
  47. Advances on a Decision Analytic Approach to Exposure‐Based Chemical Prioritization
  48. NMReDATA, a standard to report the NMR assignment and parameters of organic compounds
  49. Evaluating opportunities for advancing the use of alternative methods in risk assessment through the development of fit-for-purpose in vitro assays
  50. OPERA models for predicting physicochemical properties and environmental fate endpoints
  51. Suspect screening and non-targeted analysis of drinking water using point-of-use filters
  52. A review using PubMed of drug repurposing
  53. Suspect Screening Analysis of Chemicals in Consumer Products
  54. High-throughput in-silico prediction of ionization equilibria for pharmacokinetic modeling
  55. Computational Tools for ADMET Profiling
  56. Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis
  57. A Comparison of Three Liquid Chromatography (LC) Retention Time Prediction Models
  58. Integrating tools for non-targeted analysis research and chemical safety evaluations at the US EPA
  59. The PubMed Abstract Sifter - An Integrated Microsoft Excel-PubMed Desktop Application
  60. The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
  61. Predicting in vivo effect levels for repeat-dose systemic toxicity using chemical, biological, kinetic and study covariates
  62. Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals
  63. Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing
  64. Online networking, data sharing and research activity distribution tools for scientists
  65. Predicting organ toxicity using in vitro bioactivity data and chemical structure
  66. Exposing the Exposome with Global Metabolomics and Cognitive Computing
  67. The Future of Chemical Information Is Now
  68. Open data sharing can contribute to the identification of chemicals in the environment
  69. Lab information Management Systems for Analytical Laboratories
  70. Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis
  71. Machine Learning Approaches to Predict PhysChem Properties of Environmental Chemicals
  72. Using the EPA CompTox Chemistry Dashboard to Assist in Identifying Chemicals in the Environment
  73. Open Data, Open Database and Open Source Code for 3D Printable Chemical Crystal Structures
  74. Does automated curation and data standardization contribute to improved QSAR Models?
  75. Prediction of Estrogenic Bioactivity of Environmental Chemical Metabolites
  76. Green chemistry mobile apps
  77. What is the relationship between academia and industry in terms of how professors should operate?
  78. ToxCast Chemical Landscape: Paving the Road to 21st Century Toxicology
  79. Some introductory guidance regarding big data and its introduction into chemical education
  80. Using mass spectrometry and reference databases to identify chemicals in house dust
  81. CERAPP: Collaborative Estrogen Receptor Activity Prediction Project
  82. Can Open Drug Discovery efforts contribute to a cure for the Zika Virus?
  83. How Kudos can help you increase readership and broaden the context of your work
  84. Extracting and Modeling a Large Melting Point Dataset (300k) from a Patent Collection
  85. In Silico Study of In Vitro GPCR Assays by QSAR Modeling
  86. High Throughput Screening Methods
  87. Small molecule bioactivity databases
  88. Chapter 3. Nuclear Magnetic Resonance Experiments Applicable to the Elucidation and Characterization of Nitrogenous Natural Products: 1H–15N Heteronuclear Shift Correlation Methods
  89. Ambiguity of non-systematic chemical identifiers within and between small-molecule databases
  90. Spiroketals and teddy bears - you can turn both of them inside out
  91. Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation
  92. Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data
  93. Integrated Model of Chemical Perturbations of a Biological Pathway Using 18In VitroHigh-Throughput Screening Assays for the Estrogen Receptor
  94. From chemistry to biology database curation
  95. The Chemical Validation and Standardization Platform (CVSP): large-scale automated validation of chemical structure datasets
  96. Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation
  97. Predicting Hepatotoxicity Using ToxCastin VitroBioactivity and Chemical Structure
  98. Adding Chemistry Functionality to a Generic Open Source Electronic Lab Notebook (Labtrove)
  99. Publishing chemistry data in a way that allows computers to actually use it
  100. New Tools and Challenges for Chemical Education: Mobile Learning, Augmented Reality, and Distributed Cognition in the Dawn of the Social and Semantic Web
  101. Computer–Based Structure Elucidation from Spectral Data
  102. Strategies of Structure Elucidation
  103. Fundamentals of Structure Elucidator System
  104. Structure Elucidation Using Strict Structure Generation
  105. Problems Solved Using Fuzzy Structure Generation
  106. Simple Examples of Structure Elucidation
  107. Dereplication of natural products using minimal NMR data inputs
  108. Chapter 8. 1H-NMR Spectroscopy: The Method of Choice for the Dereplication of Natural Product Extracts
  109. Applications of 1H–15N Long-Range Heteronuclear Shift Correlation and 15N NMR in Alkaloid Chemistry
  110. Chapter 1. New Directions in Natural Products NMR: What Can We Learn by Examining How the Discipline Has Evolved?
  111. Chapter 11. Future Approaches for Data Processing
  112. Chapter 9. Application of Computer-assisted Structure Elucidation (CASE) Methods and NMR Prediction to Natural Products
  113. Rules for licensing data and computational models
  114. Associated challenges with the divergent expansions of public and commercial sources of molecules
  115. Single Molecule Microscopy and Properties of Olympicene: Olympic Rings at the molecular level
  116. The replacement architecture for RSC's ChemSpider - the RSC Data Repository
  117. Truth in structue – Quicker ways to natural product structures that don't require correction
  118. Can drug discovery become more effective using open data and prediction tools?
  119. Predicting the efficiency of chemical compounds against the Tuberculosis bacterium
  120. Using Open Science Approaches to Find a Cure for Tuberculosis
  121. Solution for expression when biological objects are the same
  122. The Semantic Web – ISWC 2014
  123. Applying linked data approaches to pharmacology: Architectural decisions and implementation
  124. The Scientific Requirements for Integrating chemistry and biology data on the Open PHACTS platform
  125. Computational Chemogenomics
  126. Facilitating scientific discovery through crowdsourcing and distributed participation
  127. Scientific competency questions as the basis for semantically enriched open pharmacological space
  128. Using molecular features to generate predictive models for Nuclear Receptors
  129. Providing the ChEMBL database in a semantic web form as linked open data
  130. Dispensing processes profoundly influence estimates of biological activity of compounds
  131. Quantitative Structure–Activity Relationship Models for Ready Biodegradability of Chemicals
  132. Sharing precompetitive data and models may accelerate drug discovery
  133. How Computer-Assisted Structure Elucidation was used to correct a structure in the literature
  134. Using Mobile Technologies for Cheminformatics Applications
  135. Challenges associated with obtaining chemical structures of repurposing candidates from an online DB
  136. Incorporating Commercial and Private Data into a Semantic Web Platform for Drug Discovery
  137. Teaching NMR Spectroscopy Using ChemSpider and other RSC resources
  138. Review of “Contemporary computer-assisted approaches to molecular structure elucidation (new developments in NMR)” by Mikhail E Elyashberg, Antony Williams and Kirill Blinov
  139. How Mobile Devices and Apps for Green Chemistry can bring value to scientists
  140. InChI: connecting and navigating chemistry
  141. An outline of what Open PHACTS is
  142. Applying Atomic Force Microscopy and Computer Assisted Structure Elucidation in Tandem
  143. A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides fromThuiaria breitfussi
  144. Assessing bioaccumulation of polybrominated diphenyl ethers for aquatic species by QSAR modeling
  145. Simple Rules are needed for Licensing Data and Models for Open Drug Discovery
  146. A review of chemical name generation software approaches for organic compounds
  147. Delivering an app on a mobile platform to enable collaboration in open drug discovery
  148. Analysing bioassay data from the public domain for human P-glycoprotein inhibitors and substrates
  149. Using mobile apps for the application of cheminformatics - making it intuitive
  150. What it will take to ensure that we build high quality public databases of chemical compounds
  151. Comparison of Different Approaches to Define the Applicability Domain of QSAR Models
  152. drug discovery bottlenecks
  153. drug discovery bottlenecks
  154. Blind trials of computer-assisted structure elucidation software
  155. Utilizing open source software to facilitate communication of chemistry at RSC
  156. Hosting a Compound Centric Community Resource for Chemistry Data
  157. Databases for computational toxicology
  158. Elucidating "Undecipherable" Chemical Structures Using CASE
  159. CASE 2D NMR-based Expert Systems
  160. Conclusions
  161. Approaches to Algorithmic Structure Elucidation
  162. Challenging Structure Elucidator
  163. Cognitive Peculiarities of the Structure Elucidation Problem
  164. Methods of NMR Spectrum Prediction and Structure Verification
  165. The Knowledge Base of the Structure Elucidator CASE System
  166. An Evaluation of the Performance of the Structure Elucidator System
  167. CASE Expert Systems Based on 1D NMR Spectra
  168. Methods of Relative Stereochemistry Determination in CASE Systems
  169. Primary Data Processing: Preparation, Input and Checking
  170. Comparison of Systematic CASE Systems versus a Traditional Approach
  171. Structural Revisions of Natural Products with the Aid of the Structure Elucidator System
  172. The Challenge of Non-Standard Spectral Responses and the Role of Fuzzy Structure Generation
  173. Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation
  174. Identification of “Known Unknowns” Utilizing Accurate Mass Data and ChemSpider
  175. Mobile apps for chemistry
  176. Quality of public chemistry databases
  177. ONS Open Melting Point Collection
  178. ONS Open Melting Point Collection
  179. The OCHEM web-based platform for data modeling/QSAR prediction
  180. new uses for old drugs
  181. collaborative technologies for research
  182. Collaborations in chemistry
  183. Chemspider: A Platform for Crowdsourced Collaboration to Curate Data Derived From Public Compound Databases
  184. Standards for Collaborative Computational Technologies
  185. Challenges for collaborative computational technologies
  186. Frontmatter
  187. Index
  188. Smart Phones, a Powerful Tool in the Chemistry Classroom
  189. repositioning approved drugs
  190. Front Matter
  191. Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
  192. Utilizing Long-Range1H-15N 2-D NMR Spectroscopy for Chemical Structure Elucidation and Confirmation
  193. ChemInform Abstract: Structural Revisions of Natural Products by Computer-Assisted Structure Elucidation (CASE) Systems
  194. When pharmaceutical companies publish large datasets: an abundance of riches or fool's gold?
  195. Beautifying Data in the Real World
  196. A Predictive Ligand-Based Bayesian Model for Human Drug-Induced Liver Injury
  197. The first article describing the value of ChemSpider for students and educators
  198. How Community Crowdsourcing and Social Networking is Helping to Build a Quality Online Resource for Chemists
  199. ChemInform Abstract: Computer-Assisted Methods for Molecular Structure Elucidation: Realizing a Spectroscopist′s Dream
  200. Erratum to: Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
  201. Chemistry in your kitchen
  202. Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining
  203. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents
  204. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents
  205. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents
  206. Open Notebook Science Challenge: Solubilities of Organic Compounds in Organic Solvents
  207. Reaching Out to Collaborators: Crowdsourcing for Pharmaceutical Research
  208. Empirical and DFT GIAO quantum-mechanical methods of 13 C chemical shifts prediction: competitors or collaborators?
  209. Crowdsourced Chemistry Why Online Chemistry Data Needs Your Help
  210. Examining public datasets of antimalarial “hits” and drugs
  211. Precompetitive preclinical ADME/Tox data: set it free on the web to facilitate computational model building and assist drug development
  212. Laboratory Information Management Systems (LIMS)
  213. ChemSpider: Integrating Structure-Based Resources Distributed across the Internet
  214. How many chemical structures in the literature can be corrected using computer analysis of NMR data
  215. Enhancing Learning with Online Resources, Social Networking, and Digital Libraries
  216. Citizen Scientists and Their Contributions to Internet Based Chemistry
  217. Short Title
  218. Learning to Interpret NMR spectra using an online game
  219. A systematic approach for the generation and verification of structural hypotheses
  220. Development of a fast and accurate method of 13C NMR chemical shift prediction
  221. The application of empirical methods of13C NMR chemical shift prediction as a filter for determining possible relative stereochemistry
  222. Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream
  223. Natural Product Chemistry for Drug Discovery
  224. Automated Identification and Conversion of Chemical Names to Structure-Searchable Information
  225. Optimization of the Ugi Reaction Using Parallel Synthesis and Automated Liquid Handling
  226. Multistep correlations via covariance processing of COSY/GCOSY spectra: opportunities and artifacts
  227. Unsymmetrical indirect covariance processing of hyphenated and long-range heteronuclear 2D NMR spectra - Enhanced visualization of2JCHand4JCHcorrelation responses
  228. Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation
  229. A perspective of publicly accessible/open-access chemistry databases
  230. Internet-based tools for communication and collaboration in chemistry
  231. Performance Validation of Neural Network Based 13C NMR Prediction Using a Publicly Available Data Source
  232. Applying Computer-Assisted Structure Elucidation Algorithms for the Purpose of Structure Validation: Revisiting the NMR Assignments of Hexacyclinol
  233. Chemistry Crowdsourcing and Open Notebook Science
  234. Chemistry Crowdsourcing and Open Notebook Science
  235. Using indirect covariance spectra to identify artifact responses in unsymmetrical indirect covariance calculated spectra
  236. Toward More Reliable 13C and 1H Chemical Shift Prediction:  A Systematic Comparison of Neural-Network and Least-Squares Regression Based Approaches
  237. 13C−15N Correlation via Unsymmetrical Indirect Covariance NMR: Application to Vinblastine
  238. Major Structural Components in Freshwater Dissolved Organic Matter
  239. Using mathematical processing techniques to build molecular skeletons from NMR data
  240. Application of unsymmetrical indirect covariance NMR methods to the computation of the 13 C↔15 N HSQC-IMPEACH and 13 C↔15 N HMBC-IMPEACH correlation spectra
  241. Introducing ambiguity of data interpretation can provide better answers for interpreting NMR data
  242. Indirect covariance mathematical processing to create an equivalent GHSQC-TOCSY experiment
  243. Long-Range1H—15N Heteronuclear Shift Correlation
  244. Fuzzy Structure Generation:  A New Efficient Tool for Computer-Aided Structure Elucidation (CASE)
  245. Identifying 15N-13C connectivity networks using covariance processing techniques of NMR data
  246. Automated structure verification based on a combination of 1D1H NMR and 2D1H13C HSQC spectra
  247. Mathematical generation of HSQC-NOESY data equivalent data using covariance processing approaches
  248. The ACS style guide: effective communication of scientific information
  249. Are Deterministic Expert Systems for Computer-Assisted Structure Elucidation Obsolete?
  250. Chemical Structures
  251. Computer-Assisted Structure Elucidation software CAN elucidate EXTREMELY complex molecules!
  252. The Application of 1H High-Resolution Magic-Angle Spinning NMR for the Study of Clay−Organic Associations in Natural and Synthetic Complexes
  253. Assessing the organic composition of urban surface films using nuclear magnetic resonance spectroscopy
  254. Automated structure verification based on1H NMR prediction
  255. Unsymmetrical covariance processing of COSY or TOCSY and HSQC NMR data to obtain the equivalent of HSQC-COSY or HSQC-TOCSY spectra
  256. Long-range carbon-carbon connectivity via unsymmetrical indirect covariance processing of HSQC and HMBC NMR data
  257. Practical Interpretation of P-31 NMR Spectra and Computer Assisted Structure Verification. Von Louis D. Quin und Antony J. Williams.
  258. Computer-aided determination of relative stereochemistry and 3D models of complex organic molecules from 2D NMR spectra
  259. Long-Range 1H–15N Heteronuclear Shift Correlation
  260. Analysis and elimination of artifacts in indirect covariance NMR spectra via unsymmetrical processing
  261. Structure Elucidation from 2D NMR Spectra Using the StrucEluc Expert System: Detection and Removal of Contradictions in the Data.
  262. Book Review
  263. An addendum showing how an error crept into an article about NMR prediction
  264. Structure Elucidation from 2D NMR Spectra Using theStrucElucExpert System:  Detection and Removal of Contradictions in the Data
  265. Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments
  266. Automated structure elucidation of two unexpected products in a reaction of anα,β-unsaturated pyruvate
  267. Structure Elucidator:  A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments
  268. Identifying residues in natural organic matter through spectral prediction and pattern matching of 2D NMR datasets
  269. Automated structure elucidation - the benefits of a symbiotic relationship between the spectroscopist and the expert system
  270. Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system
  271. Quindolinocryptotackieine: the elucidation of a novel indoloquinoline alkaloid structure through the use of computer-assisted structure elucidation and 2D NMR
  272. Identification of degradants of a complex alkaloid using NMR cryoprobe technology and ACD/structure elucidator
  273. Application of a New Expert System for the Structure Elucidation of Natural Products from Their 1D and 2D NMR Data
  274. A new approach to automated first-order multiplet analysis
  275. Applications of Computer Software for the Interpretation and Management of Mass Spectrometry Data in Pharmaceutical Science
  276. An expert system for automated structure elucidation utilizing 1 H- 1 H, 13 C- 1 H and 15 N- 1 H 2D NMR correlations
  277. Variable-temperature high-pressure investigation of the cobalt-59 NMR spectroscopy of aqueous K3[Co(CN)6]
  278. Improved Baseline Recognition and Modeling of FT NMR Spectra
  279. The Need for Systematic Naming Software Tools for Exchange of Chemical Information
  280. Laboratory Information Management Systems (LIMS)
  281. How Kodak built the first web-based information management system
  282. Microstructure analysis at the percolation threshold in reverse microemulsions
  283. Reverse micelle to sponge phase transition
  284. Self-diffusion near the percolation threshold in reverse microemulsions
  285. Facile Rearrangements of Alkynylamino Heterocycles with Noble Metal Cations
  286. Substituent-induced chemical shifts of aromatic carbon centres in a series of non-acetylated and peracetylatedPara-substituted aryl 2-N-acetamido-2-deoxy-β-D-glucopyranosides
  287. 1H NMR Exchange Reactions in Tellurium(IV) Derivatives with Cleavage of Te-N Bonds
  288. A Mechanism for Heteroatom Scrambling in the Synthesis of Unsymmetrical Chalcogenopyrylium Trimethine Dyes
  289. Single-Crystal EPR Study of Triplet Excitons in Tetraethylammonium 2,3,5,6-Tetracyanobenzoquinonide. Evidence for an Interdimer Triplet Exciton
  290. NMR Analysis of Interfacial Structure Transitions Accompanying Electron-Transfer Threshold Transition in Reverse Microemulsions
  291. Analysis of the13C and1H spectra of mixtures of benzylidene derivatives
  292. The use of NMR to study sodium dodecyl sulfate-gelatin interactions
  293. Global and internal molecular dynamics of poly(acrylamide-co-allyl 2-acetamido-2-deoxy-D-glucopyranoside) glycopolymers from 13C NMR relaxation studies
  294. Cosurfactant-induced electron transfer in highly resistive microemulsions
  295. Thermolysis of 2-benzylidenebenzocyclobutenols
  296. Using 2D NMR spectroscopy to examine exchange between selenium and selenium-sulfur dihalides
  297. An x-ray crystallographic and single-crystal EPR investigation of the cationic, iron-centered radical tricarbonylbis(triphenylphosphine)iron(I), {Fe(CO)3(PPh3)2+}. A theoretical examination of the structural preferences of five-coordinated seventeen-el...
  298. Carbon-carbon double-bond formation in the intermolecular acetonitrile reductive coupling promoted by a mononuclear titanium(II) compound. Preparation and characterization of two titanium(IV) imido derivatives
  299. 1H and13C chemical shift assignments ofpara-substituted aryl 2-acetamido-2-deoxy-β-D-glucopyranosides
  300. EPR spectra in γ-irradiated PPN+HFeW(CO)9− crystals
  301. Using NMR spectroscopy to study molecular motions of alkyl chains
  302. EPR studies of chromium tungsten carbonyl sulfur dimer, S[M(CO)5]2-, radicals (M = chromium, tungsten) trapped in single crystals of bis(triphenylphosphino)imium salt, PPN+HS[M(CO)5]2-
  303. Electron paramagnetic resonance studies of radical pairs [M(CO) ? 5 ]2(M = Cr, Mo, W) trapped in single crystals of PPh + 4 HM(CO) ? 5
  304. Electron paramagnetic resonance study of isolated free radical pairs in M+18-crown-6 TCNQ–. (TCNQ = 7,7′,8,8′-tetracyano-p-quinodimethane; M = K, Rb)
  305. Combined x-ray crystallographic, single-crystal EPR, and theoretical study of metal-centered radicals of the type [.eta.5C5R5Cr(CO)2L] (R = H, Me; L = CO, tertiary phosphine)
  306. EPR spectra of dichloro(pentamethylcyclopentadienyl)bis(trimethylphosphine)molybdenum in solution and in single crystals of (C5Me5)MoCl(PMe3)2(N2)
  307. Aerial energy surveying using infrared techniques
  308. Single‐crystal electron paramagnetic resonance study of triplet excitons in [Fe(mesitylene)2+2][C3(C(CN)2)−3]2
  309. EPR studies of M(CO)5- radicals (M = chromium, molybdenum, tungsten) trapped in single crystals of PPN+HM(CO)5-
  310. NMR relaxation studies of internal motions: a comparison between micelles and related systems
  311. ESR spectrum of the diiron octacarbonyl (Fe2(CO)8-) radical trapped in single crystals of bis(triphenylphosphine)nitrogen diiron octacarbonyl (PPN+HFe2(CO)8-)
  312. The evaluation of two correlation times for methyl groups from carbon-13 spin-lattice relaxation times and NOE data
  313. Electron Paramagnetic Resonance examination of the efficiency of back-bonding in organometallics
  314. Isolated free-radical pairs in Rb+ 18-crown-6 TCNQ? single crystals (TCNQ = tetracyanoquinodimethane)
  315. Single-crystal electron-spin resonance study of the 4-phenyl-1,2,3,5-dithiadiazolyl radical
  316. Ageing in niobium-rich niobium-hafnium-carbon alloys
  317. Low‐Energy Electron‐Impact Study of the 12–14‐eV Transitions in Nitrogen
  318. Some enzymic syntheses of 15N-L-aspartic acid and 15N-L-glutamic acid
  319. Alkylidenecyclobutanes. Part III. The addition of hydrogen bromide to diphenylmethylenecyclobutane
  320. The reaction between ethyl diazoacetate and anthracene and phenanthrene
  321. Spectroscopic studies. Part IX. Infrared spectra and structure of some cyclobutanecarboxylic acids
  322. Low‐Energy, Large‐Angle Electron‐Impact Spectra: Helium, Nitrogen, Ethylene, and Benzene
  323. Alkylidenecyclobutanes. Part II. The oxidation of benzylidenecyclobutane and of bis-(p-methoxyphenyl)methylenecyclobutane
  324. 769. Molecular polarisability. The molar Kerr constants of n-alkyl bromides
  325. 768. The polarisations and apparent dipole moments of fourteen n-alkyl bromides between methyl and octadecyl in carbon tetrachloride
  326. Steric effects in the system
  327. 113. Molecular polarisability: chlorobenzene as a solvent for the determination of molar Kerr constants of solutes
  328. 325. Molecular polarisability. Chloroform as a solvent for the determination of molar Kerr constants of solutes
  329. 24. Molecular polarisability. The anisotropy of the H—O bond in normal alcohols
  330. 21. The dielectric polarisations and apparent dipole moments of alcohols as solutes
  331. 22. Dielectric relaxation times for normal alcohols at infinite dilution in carbon tetrachloride or benzene
  332. 363. Molecular polarisability. The molar Kerr constants of phenol and its p-methyl, chloro-, bromo-, and nitro-derivatives
  333. 25. Molecular polarisability. The molar Kerr constants at infinite dilution in benzene of seven normal alcohols
  334. 816. The oxidation of diphenylmethylenecyclobutane
  335. The Near Infra-Red Absorption of Normal Alcohols and their Bromides
  336. How 15N NMR can be used in the structure elucidation of complex alkaloid natural products
  337. Chapter 12. Ligand-Based Modeling of Toxicity
  338. Chapter 8. Covariance NMR
  339. Cosurfactant facilitated transport in reverse microemulsions