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Comprehensive Experimental and Theoretical Study into the Complete Valence Electronic Structure of Norbornadiene

https://doi.org/10.1021/jp021338d
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/hlca.19690520631openalex-snapshot
Photoelektronspektroskopische Bestimmung der Wechselwirkung zwischen nicht‐konjugierten Doppelbindungen [1]. Vorläufige Mitteilung
inferredcites →https://doi.org/10.1002/hlca.19720550514openalex-snapshot
The π‐Orbital Sequence in Norbornadiene and Related Hydrocarbons
inferredcites →https://doi.org/10.1002/hlca.19750580331openalex-snapshot
A Quantitative Assessment of „Through‐space” and „Through‐bond” Interactions. Application to Semi‐empirical SCF Models
inferredcites →https://doi.org/10.1002/hlca.19770600714openalex-snapshot
Valence Ionization Energies of Hydrocarbons
inferredcites →https://doi.org/10.1002/mrc.1260330506openalex-snapshot
Interpretation of substituent‐induced chemical shifts in 13C NMR spectra of 2‐substituted norbornadienes. Influence of homoconjugation
inferredcites →https://doi.org/10.1007/978-1-4615-4779-2openalex-snapshot
Electron Momentum Spectroscopy
inferredcites →https://doi.org/10.1016/0009-2614(72)80204-5openalex-snapshot
Ab initio molecular orbital caclulations, the electronic structure and electron spectrum of norbornadiene
inferredcites →https://doi.org/10.1016/0022-2860(77)80041-0openalex-snapshot
The molecular structure of norbornene as determined by electron diffraction and microwave spectroscopy
inferredcites →https://doi.org/10.1016/0166-1280(87)80064-7openalex-snapshot
The structure of bicyclo[2.2.1]heptanes: Norbornane, nornornene, norbornadiene, 7-oxanorbornane, and 7-thianorbornane
inferredcites →https://doi.org/10.1016/0301-0104(89)87130-7openalex-snapshot
Ab initio study of the outer valence ionization potentials and electron affinities of nonconjugated π-electron cyclic systems
inferredcites →https://doi.org/10.1016/0368-2048(79)80031-6openalex-snapshot
Interpretation of the photoelectron spectrum of norbornadiene: A green's function approach
inferredcites →https://doi.org/10.1016/0584-8539(73)80167-9openalex-snapshot
Interpretation of the vibrational spectra of bicyclic hydrocarbons: norbornane and norbornadiene
inferredcites →https://doi.org/10.1016/s0009-2614(98)00363-7openalex-snapshot
An electron momentum spectroscopy study of π orbitals of norbornadiene and 1,4-cyclohexadiene: evidence for through-space and through-bond interactions
inferredcites →https://doi.org/10.1016/s0368-2048(02)00035-xopenalex-snapshot
Definitive confirmation for through-space bond dominance in the outermost π-orbitals of norbornadiene
inferredcites →https://doi.org/10.1021/ar50037a001openalex-snapshot
Interaction of orbitals through space and through bonds
inferredcites →https://doi.org/10.1021/j100378a024openalex-snapshot
Variable-temperature and -pressure spectroscopic studies of norbornadiene
inferredcites →https://doi.org/10.1021/ja00076a047openalex-snapshot
Molecular structure of norbornadiene as determined by microwave Fourier transform spectroscopy
inferredcites →https://doi.org/10.1021/ja00161a010openalex-snapshot
Ab initio SCF MO and natural bond orbital studies of 7-silanorbornadiene and 7,7-dimethyl-7-silanorbornadiene. Two molecules possessing an inverted sequence of .pi. orbitals
inferredcites →https://doi.org/10.1021/ja00238a004openalex-snapshot
Theoretical analysis of hydrocarbon properties. 1. Bonds, structures, charge concentrations, and charge relaxations
inferredcites →https://doi.org/10.1021/ja00704a003openalex-snapshot
Photoelectron spectra of molecules. III. Ionization potentials of some cyclic hydrocarbons and their derivatives, and heats of formation and ionization potentials calculated by the MINDO[minimum neglect of differential overlap]SCF MO method
inferredcites →https://doi.org/10.1021/ja00706a051openalex-snapshot
Interaction of nonconjugated double bonds
inferredcites →https://doi.org/10.1021/ja01008a018openalex-snapshot
Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening sigma bonds
inferredcites →https://doi.org/10.1021/ja963058fopenalex-snapshot
Theoretical and (e,2e) Experimental Investigation into the Complete Valence Electronic Structure of [1.1.1]Propellane
inferredcites →https://doi.org/10.1021/ja9940423openalex-snapshot
A Density Functional Theory and Electron Momentum Spectroscopy Study into the Complete Valence Electronic Structure of Cubane
inferredcites →https://doi.org/10.1021/jo952268sopenalex-snapshot
The Energetics of Valence Isomerization in the Norbornadiene−Quadricyclane System
inferredcites →https://doi.org/10.1021/jo9908997openalex-snapshot
Organic Thermochemistry at High ab Initio Levels. 2. Meeting the Challenge: Standard Heats of Formation of Gaseous Norbornane, 2-Norbornene, 2,5-Norbornadiene, Cubane, and Adamantane at the G2 Level
inferredcites →https://doi.org/10.1021/jp992093gopenalex-snapshot
G2 and G3 Calculations of Enthalpies of Hydrogenation, Isomerization, and Formation of Bi-, Tri-, and Tetracyclic C7 Hydrocarbons: The Norbornadiene Cycle
inferredcites →https://doi.org/10.1039/dc9725400127openalex-snapshot
Interpretation of photoelectron spectra of hydrocarbons using semi-empirical SCF MO calculations
inferredcites →https://doi.org/10.1063/1.1449312openalex-snapshot
Chemical applications of binary (e,2e) spectroscopy
inferredcites →https://doi.org/10.1063/1.454033openalex-snapshot
A multicenter numerical integration scheme for polyatomic molecules
inferredcites →https://doi.org/10.1063/1.455195openalex-snapshot
The vibrational spectra (100–1600 cm−1) and scaled a b i n i t i o STO-3G and 3-21G harmonic force fields for norbornane, norbornene, and norbornadiene
inferredcites →https://doi.org/10.1063/1.462165openalex-snapshot
Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies
inferredcites →https://doi.org/10.1063/1.464664openalex-snapshot
Franck–Condon structure of the S→S1 and S→S2 transitions in norbornadiene
inferredcites →https://doi.org/10.1063/1.465054openalex-snapshot
Molecular gradients and hessians implemented in density functional theory
inferredcites →https://doi.org/10.1063/1.4823194openalex-snapshot
Data Reduction and Error Analysis for the Physical Sciences
inferredcites →https://doi.org/10.1080/00224065.1972.11980528openalex-snapshot
Data Reduction and Error Analysis for the Physical Sciences
inferredcites →https://doi.org/10.1080/09500349014551991openalex-snapshot
Electron Momentum Spectroscopy
inferredcites →https://doi.org/10.1088/0022-3700/15/15/025openalex-snapshot
Electron coincidence spectroscopy of sodium and potassium
inferredcites →https://doi.org/10.1088/0034-4885/51/3/001openalex-snapshot
Wavefunction mapping in collision experiments
inferredcites →https://doi.org/10.1088/0034-4885/54/6/001openalex-snapshot
Electron momentum spectroscopy of atoms and molecules
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physreva.51.2005openalex-snapshot
Generalization of the optimized-effective-potential model to include electron correlation: A variational derivation of the Sham-Schlüter equation for the exact exchange-correlation potential
inferredcites →https://doi.org/10.1103/physreva.65.022710openalex-snapshot
Theoretical differential and total cross sections of water-molecule ionization by electron impact
inferredcites →https://doi.org/10.1103/physrevb.33.8822openalex-snapshot
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4855750openalex-extracted
Polycycloalkanes at the Helm: Exploring Efuel with Norbornyl Derivatives
inferred← citeshttps://doi.org/10.1002/jcc.23270openalex-snapshot
Photodeactivation paths in norbornadiene
inferred← citeshttps://doi.org/10.1002/qua.24386openalex-snapshot
Resonance theory of catalytic action of transition‐metal complexes: Isomerization of quadricyclane to norbornadiene catalyzed by metal porphyrins
inferred← citeshttps://doi.org/10.1007/s00894-023-05738-7openalex-snapshot
The surface chemistry of norbornadiene and norbornene on Pd(111) and Pd(100): a comparative DFT study
inferred← citeshttps://doi.org/10.1016/j.cplett.2020.137877openalex-snapshot
The electronic structure of bicyclo[2.2.2]octa-2,5-dione
inferred← citeshttps://doi.org/10.1016/j.jpcs.2004.08.018openalex-snapshot
Structural impact on the methano bridge in norbornadiene, norbornene and norbornane
inferred← citeshttps://doi.org/10.1016/j.mtchem.2024.102264openalex-snapshot
Polycycloalkanes at the Helm: Exploring high energy density eFuel with norbornyl derivatives
inferred← citeshttps://doi.org/10.1016/j.theochem.2005.01.058openalex-snapshot
The electronic structural information from core orbitals of norbornadiene, norbornene and norbornane
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.4c05822openalex-snapshot
Determination of Outer Valence Space of Norbornadiene: A Pathway to Understanding Strained Hydrocarbon Fuels
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.5c03894openalex-snapshot
Quadricyclane and Norbornadiene as High-Energy Aviation Fuels: A DFT Study
inferred← citeshttps://doi.org/10.1021/jp058158zopenalex-snapshot
Investigation into the Valence Electronic Structure of Norbornene Using Electron Momentum Spectroscopy, Green's Function, and Density Functional Theories
inferred← citeshttps://doi.org/10.1021/jp105551jopenalex-snapshot
Electron Momentum Spectroscopy of Norbornadiene at the Benchmark ADC(3) Level
inferred← citeshttps://doi.org/10.1039/d3cp00192jopenalex-snapshot
Future of computational molecular spectroscopy—from supporting interpretation to leading the innovation
inferred← citeshttps://doi.org/10.1063/1.1799014openalex-snapshot
Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green’s function theories
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Understanding glycine conformation through molecular orbitals
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Ian Ellery McCarthy 1930–2005
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Performance assessment of density functional theory-based models using orbital momentum distributions
inferred← citeshttps://doi.org/10.1088/0953-4075/36/14/316openalex-snapshot
An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione
inferred← citeshttps://doi.org/10.1088/0953-4075/37/3/003openalex-snapshot
Inner valence shell bonding mechanism of n-butane studied using orbital momentum distributions of its conformational isomers
inferred← citeshttps://doi.org/10.1088/0953-4075/39/11/008openalex-snapshot
An experimental and theoretical study into the valence electronic structure of bicyclo[2.2.1]hepta-2,5-dione
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Looking at Molecular Orbitals in Three-Dimensional Form: From Dream to Reality
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