On the public citation graph
Assignment of Relative Configuration to Acyclic Compounds Based on13C NMR Shifts. A Density Functional and Molecular Mechanics Study
0 signed · 76 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/9780470147252.ch4openalex-snapshot
Substituent Effects on 13 C Chemical Shifts in Aliphatic Molecular Systems. Dependence on Constitution and Stereochemistry
inferredcites →https://doi.org/10.1002/9780470147269.ch1openalex-snapshot
The Stereochemistry of Linear Macromolecules
inferredcites →https://doi.org/10.1002/ange.19921040905openalex-snapshot
Flexible Moleküle mit definierter Gestalt — Konformationsdesign
inferredcites →https://doi.org/10.1002/ijch.199300045openalex-snapshot
Calculation of NMR Chemical Shifts — The Third Dimension of Quantum Chemistry
inferredcites →https://doi.org/10.1002/mrc.1260310417openalex-snapshot
Theoretical study of the γ‐gauche effect for an n‐paraffin by using an ab initio GIAO–CHF procedure
inferredcites →https://doi.org/10.1007/978-1-4612-3136-3_6openalex-snapshot
Gaussian-based Density Functional Methodology, Software, and Applications
inferredcites →https://doi.org/10.1016/0009-2614(90)87064-xopenalex-snapshot
New algorithm for the optimization of geometries in local density functional theory
inferredcites →https://doi.org/10.1016/0009-2614(93)85608-qopenalex-snapshot
Calculations of NMR shielding constants by uncoupled density functional theory
inferredcites →https://doi.org/10.1016/0009-2614(93)85609-ropenalex-snapshot
Calculations of NMR shielding constants beyond uncoupled density functional theory. IGLO approach
inferredcites →https://doi.org/10.1016/0040-4020(95)00985-xopenalex-snapshot
L-755,807, A new non-peptide bradykinin binding inhibitor from an endophytic Microsphaeropsis sp.
inferredcites →https://doi.org/10.1016/0040-4039(94)02450-popenalex-snapshot
Sambutoxin: A new mycotoxin isolated from Fusarium sambucinum
inferredcites →https://doi.org/10.1021/cr60254a001openalex-snapshot
Allylic strain in six-membered rings
inferredcites →https://doi.org/10.1021/ja00013a041openalex-snapshot
Conformational analysis of chiral alkenes and oxonium ions: ab initio molecular orbital calculations and an improved MM2 force field
inferredcites →https://doi.org/10.1021/ja00092a046openalex-snapshot
Nuclear Magnetic Resonance Shielding Tensors Calculated with a Sum-over-States Density Functional Perturbation Theory
inferredcites →https://doi.org/10.1021/ja00114a028openalex-snapshot
Influence of the Nonplanarity of the Amide Moiety on Computed Chemical Shifts in Peptide Analogs. Is the Amide Nitrogen Pyramidal?
inferredcites →https://doi.org/10.1021/ja00115a019openalex-snapshot
Ab Initio IGLO Studies of the Conformational and Substituent Dependencies of .alpha.-, .beta.-, .gamma.-, and .delta.-Effects in the 13C NMR Spectra of 1-Substituted Butanes
inferredcites →https://doi.org/10.1021/ja00142a023openalex-snapshot
A Basis Size Dependence Study of Carbon-13 Nuclear Magnetic Resonance Spectroscopic Shielding in Alanyl and Valyl Fragments: Toward Protein Shielding Hypersurfaces
inferredcites →https://doi.org/10.1021/ja00168a020openalex-snapshot
Ab initio IGLO studies of the conformational dependencies of .alpha.-, .beta.-, and .gamma.-substituent effects in the carbon-13 NMR spectra of aliphatic and alicyclic hydrocarbons
inferredcites →https://doi.org/10.1021/ja00194a035openalex-snapshot
An internal-coordinate Monte Carlo method for searching conformational space
inferredcites →https://doi.org/10.1021/ja00205a001openalex-snapshot
Molecular mechanics. The MM3 force field for hydrocarbons. 1
inferredcites →https://doi.org/10.1021/ja00212a001openalex-snapshot
Application of carbon-13 NMR spectroscopy to acyclic conformational analysis
inferredcites →https://doi.org/10.1021/ja01166a123openalex-snapshot
Some Observations Concerning Steric Factors
inferredcites →https://doi.org/10.1021/jo00224a069openalex-snapshot
Application of carbon-13 NMR spectroscopy to acyclic stereochemical analysis
inferredcites →https://doi.org/10.1021/jp9529127openalex-snapshot
Comparison of NMR Shieldings Calculated from Hartree−Fock and Density Functional Wave Functions Using Gauge-Including Atomic Orbitals
inferredcites →https://doi.org/10.1039/p29930001535openalex-snapshot
Origin of the additive relationship for 13C NMR chemical shifts of alkanes as studied by ab initio GIAO calculations
inferredcites →https://doi.org/10.1080/00268977400100711openalex-snapshot
Self-consistent perturbation theory of diamagnetism
inferredcites →https://doi.org/10.1103/physrevb.45.13244openalex-snapshot
Accurate and simple analytic representation of the electron-gas correlation energy
inferredcites →https://doi.org/10.1103/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.48.4978.2openalex-snapshot
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1139/v80-197openalex-snapshot
Analysis of 13C nuclear magnetic resonance chemical shifts of acyclic hydrocarbons
inferredcites →https://doi.org/10.1139/v92-079openalex-snapshot
Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.3897/imafungus.16.141036zenodo-depositor-declared
Bulbillosins A - E, azaphilones from Tengochaeta bulbillosa sp. nov. (Chaetomiaceae), a root endophyte of the Chinese medicinal plant Aster tataricus
inferred← citeshttps://doi.org/10.1002/(sici)1099-0690(199911)1999:11<2929::aid-ejoc2929>3.0.co;2-1openalex-snapshot
Conformation Control in Open-Chain Compounds with up to Six Rotatable Bonds
inferred← citeshttps://doi.org/10.1002/1521-3757(20000616)112:12<2134::aid-ange2134>3.0.co;2-vopenalex-snapshot
Konformationsdesign offenkettiger Verbindungen
inferred← citeshttps://doi.org/10.1002/9783527688166.ch2openalex-snapshot
Non‐optical Method in Configuration Study
inferred← citeshttps://doi.org/10.1002/ange.201702189openalex-snapshot
Polyunsaturated C‐Glycosidic 4‐Hydroxy‐2‐pyrone Derivatives: Total Synthesis Shows that Putative Orevactaene Is Likely Identical with Epipyrone A
inferred← citeshttps://doi.org/10.1002/anie.201702189openalex-snapshot
Polyunsaturated C‐Glycosidic 4‐Hydroxy‐2‐pyrone Derivatives: Total Synthesis Shows that Putative Orevactaene Is Likely Identical with Epipyrone A
inferred← citeshttps://doi.org/10.1002/chem.201103988openalex-snapshot
Assignment of Relative Configuration of Desoxypropionates by 1H NMR Spectroscopy: Method Development, Proof of Principle by Asymmetric Total Synthesis of Xylarinic Acid A and Applications
inferred← citeshttps://doi.org/10.1002/mrc.2045openalex-snapshot
Comparison of various density functional methods for distinguishing stereoisomers based on computed 1H or 13C NMR chemical shifts using diastereomeric penam β‐lactams as a test set
inferred← citeshttps://doi.org/10.1002/poc.1151openalex-snapshot
Evaluation of various DFT protocols for computing 1H and 13C chemical shifts to distinguish stereoisomers: diastereomeric 2‐, 3‐, and 4‐methylcyclohexanols as a test set
inferred← citeshttps://doi.org/10.1007/s00214-007-0291-9openalex-snapshot
Quantum chemical prediction of the 13C NMR shifts in alkyl and chlorocorannulenes: correction of chlorine effects
inferred← citeshttps://doi.org/10.1016/j.bmc.2020.115732openalex-snapshot
Chemical constituents from Macleaya cordata (Willd) R. Br. and their phenotypic functions against a Parkinson’s disease patient-derived cell line
inferred← citeshttps://doi.org/10.1016/j.bmcl.2011.02.091openalex-snapshot
Biomimetic conversion of (−)-fusoxypyridone and (−)-oxysporidinone to (−)-sambutoxin: Further evidence for the structure of the tricyclic pyridone alkaloid, (−)-fusoxypyridone
inferred← citeshttps://doi.org/10.1016/j.tet.2019.01.020openalex-snapshot
Total synthesis, stereochemical assignment, and biological evaluation of L-755,807
inferred← citeshttps://doi.org/10.1016/j.tetlet.2020.152548openalex-snapshot
Summary of DFT calculations coupled with current statistical and/or artificial neural network (ANN) methods to assist experimental NMR data in identifying diastereomeric structures
inferred← citeshttps://doi.org/10.1016/s0040-4039(97)00862-9openalex-snapshot
The stereochemistry of the Grignard — Ortho ester reaction revisited: Regioselective endocyclic cleavage in the reaction of Grignard reagents with cis-2-methoxy-4-methyl-1,3-dioxane
inferred← citeshttps://doi.org/10.1016/s0040-4039(98)01190-3openalex-snapshot
Synthesis of the C9C25 fragment of L-755,807. Evidence for the relative configuration of the side-chain
inferred← citeshttps://doi.org/10.1016/s0957-4166(99)00041-5openalex-snapshot
Synthetic study on L-755,807: asymmetric synthesis of the epoxy-γ-lactam moiety
inferred← citeshttps://doi.org/10.1016/s1005-9040(07)60129-9openalex-snapshot
Determinations of the Configuration of C-20 in Derivatives of Adynerin Using DFT/HF Methods
inferred← citeshttps://doi.org/10.1021/acs.orglett.0c00431openalex-snapshot
Structure-Elucidating Total Synthesis of the (Polyenoyl)tetramic Acid Militarinone C
inferred← citeshttps://doi.org/10.1021/acs.orglett.1c01652openalex-snapshot
Stereostructure Clarifying Total Synthesis of the (Polyenoyl)tetramic Acid Militarinone B. A Highly Acid-Labile N-Protecting Group for Amides
inferred← citeshttps://doi.org/10.1021/acs.orglett.6b00758openalex-snapshot
Total Synthesis of (−)-L-755,807: Establishment of Relative and Absolute Configurations
inferred← citeshttps://doi.org/10.1021/cr030733copenalex-snapshot
Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods
inferred← citeshttps://doi.org/10.1021/jo001720ropenalex-snapshot
Conformation and Configuration of Tertiary Amines via GIAO-Derived13C NMR Chemical Shifts and a Multiple Independent Variable Regression Analysis
inferred← citeshttps://doi.org/10.1021/jo0201777openalex-snapshot
Approach toward the Total Synthesis of Orevactaene. 2. Convergent and Stereoselective Synthesis of the C18−C31 Domain of Orevactaene. Evidence for the Relative Configuration of the Side Chain
inferred← citeshttps://doi.org/10.1021/jo0481093openalex-snapshot
Novel Cuticular Hydrocarbons from the Cane Beetle Antitrogus parvulus4,6,8,10,16-Penta- and 4,6,8,10,16,18-HexamethyldocosanesUnprecedented anti-anti-anti-Stereochemistry in the 4,6,8,10-Methyltetrad
inferred← citeshttps://doi.org/10.1021/jo500906vopenalex-snapshot
Prediction and Determination of the Stereochemistry of the 1,3,5-Trimethyl-Substituted Alkyl Chain in Verucopeptin, a Microbial Metabolite
inferred← citeshttps://doi.org/10.1021/jo970061oopenalex-snapshot
Conformational Analysis with Carbon−Carbon Coupling Constants. A Density Functional and Molecular Mechanics Study
inferred← citeshttps://doi.org/10.1021/jo980977aopenalex-snapshot
Diastereoselective Chloroallylboration of α-Chiral Aldehydes
inferred← citeshttps://doi.org/10.1021/jp972071zopenalex-snapshot
Calculation of NMR Chemical Shifts and Spin−Spin Coupling Constants in the Monosaccharide Methyl-β- d -xylopyranoside Using a Density Functional Theory Approach
inferred← citeshttps://doi.org/10.1021/np020430yopenalex-snapshot
Novel Tetramic Acids and Pyridone Alkaloids, Militarinones B, C, and D, from the Insect Pathogenic Fungus Paecilomyces militaris
inferred← citeshttps://doi.org/10.1021/np050418gopenalex-snapshot
(+)- N -Deoxymilitarinone A, a Neuritogenic Pyridone Alkaloid from the Insect Pathogenic Fungus Paecilomyces f arinosus
inferred← citeshttps://doi.org/10.1021/np100568wopenalex-snapshot
N-Hydroxypyridones, Phenylhydrazones, and a Quinazolinone from Isaria farinosa
inferred← citeshttps://doi.org/10.1021/np100813fopenalex-snapshot
Stereumins H−J, Stereumane-Type Sesquiterpenes from the Fungus Stereum sp.
inferred← citeshttps://doi.org/10.1021/ol006410+openalex-snapshot
Construction of 4-Hydroxy-2-pyridinones. Total Synthesis of (+)-Sambutoxin
inferred← citeshttps://doi.org/10.1021/ol052166gopenalex-snapshot
Quantum Mechanical Calculations of Conformationally Relevant 1H and 13C NMR Chemical Shifts of Calixarene Systems
inferred← citeshttps://doi.org/10.1021/ol1005399openalex-snapshot
Direct Assignment of the Relative Configuration in 1,3,n-Methyl-Branched Carbon Chains by 1H NMR Spectroscopy
inferred← citeshttps://doi.org/10.1038/nchembio869openalex-snapshot
Genomics-driven discovery of PKS-NRPS hybrid metabolites from Aspergillus nidulans
inferred← citeshttps://doi.org/10.1038/s41429-019-0223-7openalex-snapshot
Structurally diverse metabolites from the rare actinobacterium Saccharothrix xinjiangensis
inferred← citeshttps://doi.org/10.1039/a607921kopenalex-snapshot
Understanding conformer equilibria in solution with the aid of calculated 13C NMR spectra.1 A density functional and molecular mechanics study
inferred← citeshttps://doi.org/10.1080/00268970009483297openalex-snapshot
Dependence of NMR isotropic shift averages and nuclear shielding tensors on the internal rotation of the functional group X about the C-X bond in seven simple vinylic derivatives H2C=CH-X
inferred← citeshttps://doi.org/10.1080/002689797170310openalex-snapshot
Calculation of 13C NMR chemical shifts and coupling constants for the analysis of conformer populations and relative configuration in flexible molecules
inferred← citeshttps://doi.org/10.1080/14786419.2021.1923710openalex-snapshot
Austrobuxusin N, a new picrotoxane terpenoid glycoside, from the Australian endemic plant Austrobuxus swainii (Beuzev. & C.T. White) Airy Shaw
inferred← citeshttps://doi.org/10.1080/14786419.2022.2050228openalex-snapshot
A novel antibacterial tyroscherin derivative with a natural unprecedented morpholine-2, 3-dione structural unit from the fungus Pseudallescheria boydii
inferred← citeshttps://doi.org/10.3390/molecules22122058openalex-snapshot
PTP1B Inhibitors from the Entomogenous Fungi Isaria fumosorosea
inferred← citeshttps://doi.org/10.5059/yukigoseikyokaishi.77.673openalex-snapshot
Total Synthesis and Amyloid β Aggregation Inhibitory Activity of (−)-L-755,807
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.