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Absorption to and emission from the excited electronic state 11Bu in long linear all‐trans‐polyenes: The case of ttbP9 and ttbP11Journal of physical organic chemistry3 dayssaveRefWorksSFX Info
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Hydride transfer versus H‐abstraction in the reaction of O3 with 2‐propanol: The influence of solventJournal of physical organic chemistry24 dayssaveRefWorksSFX Info
Mechanisms of Ssp3–H functionalization of thiolacetic acid: A density functional theory investigationJournal of physical organic chemistry37 dayssaveRefWorksSFX Info
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DABCO as a potential catalyst for the CO2 fixation: A density functional theory and ab initio molecular dynamics studyJournal of physical organic chemistry44 dayssaveRefWorksSFX Info
Theoretical research on molecular motors based on 4,5‐diazafluorenyl coordination motifsJournal of physical organic chemistry45 dayssaveRefWorksSFX Info
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A density functional theory study of the reactions of furans with substituted alkynes to form oxanorbornadienes and subsequent [4 + 2] and [2 + 2 + 2] addition reactionsJournal of physical organic chemistry49 dayssaveRefWorksSFX Info
New indolo[1,2‐c]quinazolines for single‐crystal field‐effect transistor: A united experimental and theoretical studiesJournal of physical organic chemistry50 dayssaveRefWorksSFX Info
Theoretical investigations on mechanisms and kinetics of methylketene with H reaction in the atmosphereJournal of physical organic chemistry50 dayssaveRefWorksSFX Info
Theoretical study of enantioenriched aminohydroxylation of styrene catalyzed by an engineered hemoproteinJournal of physical organic chemistry51 dayssaveRefWorksSFX Info
Reaction of hydroxyl radical with arenes in solution—On the importance of benzylic hydrogen abstractionJournal of physical organic chemistry51 dayssaveRefWorksSFX Info
Local anesthetics transfer relies on pH differences and affinities toward lipophilic compartmentsJournal of physical organic chemistry58 dayssaveRefWorksSFX Info
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Dynamics of the dimethyl sulfide exchange of (1,3‐diphenylallyl)dimethylsulfonium ionsJournal of physical organic chemistry68 dayssaveRefWorksSFX Info
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Structural and physical properties of trichloroethylene under an external electric fieldJournal of physical organic chemistry73 dayssaveRefWorksSFX Info
Substituent effects on the stability of N‐heterocyclic germylenes using density functional theoryJournal of physical organic chemistry74 dayssaveRefWorksSFX Info
Factors governing the affinity and selectivity of histone deacetylase inhibitors for the HDAC8 enzyme active site: Implications for anticancer therapyJournal of physical organic chemistry89 dayssaveRefWorksSFX Info
Substituent effects of fused Hammick silylenes via density functional theory surveyJournal of physical organic chemistry90 dayssaveRefWorksSFX Info
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Fluoride ion‐induced gas sensor based on the dipyrromethene boron difluoride derivative: A theoretical investigationJournal of physical organic chemistry102 dayssaveRefWorksSFX Info
Influences of polarizability effect of alkyl group and homoring competition effect of substituents on the fluorescence emission spectra of salen‐type Schiff basesJournal of physical organic chemistry103 dayssaveRefWorksSFX Info
Quest of Schiff bases as corrosion inhibitors: A first principle approachJournal of physical organic chemistry108 dayssaveRefWorksSFX Info
Hydrogen bonding probes electron density variations at the basic center in substituted alkyl benzoates: Theory and experimentJournal of physical organic chemistry115 dayssaveRefWorksSFX Info
Regio‐, stereo‐, and site‐selectivities of 1,3‐dipolar Cycloaddition reaction of benzonitrile oxide with unsymmetrically substituted norbornenes and norbornadienes: A computational studyJournal of physical organic chemistry115 dayssaveRefWorksSFX Info
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Effect of benzene ring on the excited‐state intramolecular proton transfer mechanisms of hydroxyquinoline derivativesJournal of physical organic chemistry124 dayssaveRefWorksSFX Info
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Topological electron density properties at critical points along aromatic rings as reactivity and regioselectivity descriptors in electrophilic substitutionsJournal of physical organic chemistry137 dayssaveRefWorksSFX Info
Photophysics of the electronic states S0 and S1 for the coplanar molecular structures of theα,ω‐diphenylpolyenes DPH and DPOJournal of physical organic chemistry137 dayssaveRefWorksSFX Info
A density functional theory study of the hydride shift in the Eschweiler–Clarke reactionJournal of physical organic chemistry138 dayssaveRefWorksSFX Info
Synthesis, structure, Hirshfeld surface, DFT, and molecular docking studies of a new organic cocrystal: creatinine:2,3‐pyridinedicarboxylic acidJournal of physical organic chemistry138 dayssaveRefWorksSFX Info
Metal‐free catalytic activation and borylation of the – –H bond of 1‐methyl pyrrole using adamantane‐derived aminoborane frustrated Lewis pairs: A density functional theory studyJournal of physical organic chemistry144 dayssaveRefWorksSFX Info
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Prediction of the kinetic stability of N‐alkyl‐X‐pyridinium ions in dichloromethaneJournal of physical organic chemistry144 dayssaveRefWorksSFX Info
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The C5‐substituent effects on the formic acid‐assisted tautomerization of protonated cytosine: A lower isomerization barrier and potential biological importanceJournal of physical organic chemistry148 dayssaveRefWorksSFX Info
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Determination and application of the excited‐state substituent constants of pyridyl and substituted phenyl groupsJournal of physical organic chemistry151 dayssaveRefWorksSFX Info
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Mechanistic insights into the autocatalyzed rearrangement of 2‐bromooxazolines to 2‐bromoisocyanates by means of high‐level quantum chemical methodsJournal of physical organic chemistry172 dayssaveRefWorksSFX Info
The effects of using an ionic liquid as a solvent for a reaction that proceeds through a phenonium ionJournal of physical organic chemistry172 dayssaveRefWorksSFX Info
Study on the synthesis and theoretical calculation of a chlorine‐substituted thiosemicarbazone derivativeJournal of physical organic chemistry172 dayssaveRefWorksSFX Info
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