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Wavefunction inc spartan’18 software suite
Spartan’18 Software Suite, supplied by Wavefunction inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/spartan%E2%80%9918+software+suite/spartan%E2%80%9914+software/pmc12034108-75-27-28
Average 90 stars, based on 1 article reviews
spartan’18 software suite - by Bioz Stars, 2026-10
90/100 stars

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Related Articles

Functional Assay:

Article Title: Impure sexithiophene: The reality of supplied materials for organic electronic applications
Article Snippet: Organic electronics are particularly susceptible to minor impurities within a materials sample because any amount of impurity can alter device performance.. Here we outline and explore a specific example of how the sudden decrease in our organic photovoltaic (OPV) performance was attributed to purchased material with a minor impurity not acknowledged by an external supplier.. Had there been no standard procedure in place to evaluate a new batch of materials, the issue could have gone unchecked and inadvertently affected other results in the future.

Article Title: One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.
Article Snippet: A multicomponent tandem assembly procedure for the synthesis of diverse C4-quaternary 3,4dihydroquinazolines from amides, amines, and ketones has been developed.. The one-pot reaction involves successive triflic anhydride mediated amide dehydration, ketimine addition, and Pictet-Spengler-like cyclization processes and affords products in up to 92% yield.. Conversion of 3,4-dihydroquinazolines to the corresponding 1,4dihydroquinazolines via a two-step N1 dealkylation and regioselective N3 functionalization protocol, including computational rationale for the observed regioselectivity, is also described.

Article Title: One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines
Article Snippet: DFT calculations of all compounds and transition states in DMF solution were performed at EDF2/6–31G* level of theory without symmetry constraints under SM8 continuum solvation model using Spartan’18 (Wavefunction, Inc.) software suite.

Software:

Article Title: Impure sexithiophene: The reality of supplied materials for organic electronic applications
Article Snippet: Organic electronics are particularly susceptible to minor impurities within a materials sample because any amount of impurity can alter device performance.. Here we outline and explore a specific example of how the sudden decrease in our organic photovoltaic (OPV) performance was attributed to purchased material with a minor impurity not acknowledged by an external supplier.. Had there been no standard procedure in place to evaluate a new batch of materials, the issue could have gone unchecked and inadvertently affected other results in the future.

Article Title: One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.
Article Snippet: A multicomponent tandem assembly procedure for the synthesis of diverse C4-quaternary 3,4dihydroquinazolines from amides, amines, and ketones has been developed.. The one-pot reaction involves successive triflic anhydride mediated amide dehydration, ketimine addition, and Pictet-Spengler-like cyclization processes and affords products in up to 92% yield.. Conversion of 3,4-dihydroquinazolines to the corresponding 1,4dihydroquinazolines via a two-step N1 dealkylation and regioselective N3 functionalization protocol, including computational rationale for the observed regioselectivity, is also described.

Article Title: One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines
Article Snippet: DFT calculations of all compounds and transition states in DMF solution were performed at EDF2/6–31G* level of theory without symmetry constraints under SM8 continuum solvation model using Spartan’18 (Wavefunction, Inc.) software suite.

Methylation:

Article Title: Impure sexithiophene: The reality of supplied materials for organic electronic applications
Article Snippet: Organic electronics are particularly susceptible to minor impurities within a materials sample because any amount of impurity can alter device performance.. Here we outline and explore a specific example of how the sudden decrease in our organic photovoltaic (OPV) performance was attributed to purchased material with a minor impurity not acknowledged by an external supplier.. Had there been no standard procedure in place to evaluate a new batch of materials, the issue could have gone unchecked and inadvertently affected other results in the future.

Article Title: One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines.
Article Snippet: A multicomponent tandem assembly procedure for the synthesis of diverse C4-quaternary 3,4dihydroquinazolines from amides, amines, and ketones has been developed.. The one-pot reaction involves successive triflic anhydride mediated amide dehydration, ketimine addition, and Pictet-Spengler-like cyclization processes and affords products in up to 92% yield.. Conversion of 3,4-dihydroquinazolines to the corresponding 1,4dihydroquinazolines via a two-step N1 dealkylation and regioselective N3 functionalization protocol, including computational rationale for the observed regioselectivity, is also described.

Article Title: One-Pot Tandem Assembly of Amides, Amines, and Ketones: Synthesis of C4-Quaternary 3,4- and 1,4-Dihydroquinazolines
Article Snippet: DFT calculations of all compounds and transition states in DMF solution were performed at EDF2/6–31G* level of theory without symmetry constraints under SM8 continuum solvation model using Spartan’18 (Wavefunction, Inc.) software suite.



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