Theoretical Study on ESIPT for NHBQ‐NO<sub>2</sub> and NHBQ‐NH<sub>2</sub>: A DFT/TDDFT Study.
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4680
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Works matching IS 08943230 AND DT 2025 AND VI 38 AND IP 2
Results: 10
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Machine Learning Enabling the Prediction of Activation Energies of SPAAC.
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4679
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- Article
3
Solvent‐Assisted Prototopic Switching of Norharmane Along Hydrogen‐Bonded Network: Assessing the Precise Length of Network.
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4678
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- Article
4
Mechanistic Multiscale Simulations and Charge Transport Properties of Amorphous and Crystalline α‐NPD Molecular Conformations: Insights From Molecule to Material Level.
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4677
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- Article
5
Competition of C–F, C–S, and S–F Bond Activation in SF<sub>5</sub>CF<sub>3</sub> Using N‐Heterocyclic Olefins Derivatives: A Computational Study.
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4675
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- Article
6
Bioorthogonal Reactions of Oxadiazinones With Strained trans‐Cyclooctenes.
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4674
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- Article
7
Computational Studies of the Optoelectronic and Charge Transport Properties of Porphyrin and Corrole‐Based Molecules.
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4673
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- Article
8
Deciphering the Importance of Weak CH<sup>...</sup>O and CH<sup>...</sup>π Interactions in S‐Propyl (E)‐2‐(1,1‐Dioxido‐2‐Propylbenzo[d]Isothiazol‐3(2H)‐ylidene)‐1‐Propylhydrazine‐1‐Carbothioate: An Experimental and Theoretical Approach
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4660
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- Article
9
Computational comparison of paratropicity trends in antiaromatic s‐indacene derivatives: Does the functional "make all the difference"?
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- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4648
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- Article
10
Issue Information.
- Published in:
- Journal of Physical Organic Chemistry, 2025, v. 38, n. 2, p. 1, doi. 10.1002/poc.4616
- Publication type:
- Article