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tetramethyleneethane

 
National Institutes of Health

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3 relations

Broader (2)

AlkenesEthane
analogs & derivatives

Papers overview

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2018
2018
The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies.
We have performed a full configuration interaction (FCI) quality benchmark calculation for the tetramethyleneethane molecule in… Expand
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2015
2015
Tetramethyleneethane Equivalents: Recursive Reagents for Serialized Cycloadditions
New reactions and reagents that allow for multiple bond-forming events per synthetic operation are required to achieve structural… Expand
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2015
2015
A Local Pair Natural Orbital-Based Multireference Mukherjee's Coupled Cluster Method.
This paper reports the development of a local variant of Mukherjee's state-specific multireference coupled cluster method based… Expand
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2015
2015
Investigating Disjoint Non-Kekulé Diradicals with Quantum Monte Carlo: The Tetramethyleneethane Molecule through the Jastrow Antisymmetrized Geminal Power Wave Function.
Disjoint non-Kekulé molecules are diradicals that present two independent radical centers and can violate Hund's rule, according… Expand
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2013
2013
Establishing the ground state of the disjoint diradical tetramethyleneethane with quantum Monte Carlo.
The nature of the electronic ground state of the tetramethyleneethane (TME) diradical has proven to be a challenge for both… Expand
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Highly Cited
2011
Highly Cited
2011
The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet…
This perspective describes research, carried out in the authors' labs over the past forty years, aimed at understanding… Expand
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2011
2011
Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations using uncoupled approximation.
A new version of the multireference Mukherjee's coupled cluster method with perturbative triexcitations has been formulated… Expand
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2004
2004
Rearrangement of a 2-methylenecyclobutanone derivative triggered by photoinduced electron transfer: an unprecedented oxa analogue of the tetramethyleneethane radical cation.
On irradiation of p-chloranil (CA), 2,2-bis(p-methoxyphenyl)-3,3-dimethyl-4-methylenecyclobutanone (1) gives 2,2-bis(p… Expand
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2003
2003
"Electromers" of the tetramethyleneethane radical cation and their nonexistence in the octamethyl derivative: interplay of experiment and theory.
Bicyclopropylidene 1a and its octamethyl derivative 1b are subjected to ionization by X-irradiation in solid argon. In accord… Expand
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1998
1998
Properties of tetramethyleneethane (TME) as revealed by ion chemistry and ion photoelectron spectroscopy
The negative ion chemistry and photoelectron spectra of [CH2C(CH3)–C(CH2)2]– and [(CH2)2C–C(CH2)2]– have been studied. The… Expand
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