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Theoretical insights into phosphine‐catalyzed [4 + 2] annulation of allenoates with thiazolone‐derived alkenesJournal of physical organic chemistry18 dayssaveRefWorksSFX Info
Mechanistic insights into the autocatalyzed rearrangement of 2‐bromooxazolines to 2‐bromoisocyanates by means of high‐level quantum chemical methodsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
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Study on the synthesis and theoretical calculation of a chlorine‐substituted thiosemicarbazone derivativeJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
A time‐dependent density function theory study on the substituent effect on excited‐state intramolecular proton transfer of 4′‐methoxy‐3‐hydroxyl flavoneJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Exploring influence of fluorine substitution on the strength and nature of halogen bond between iodobenzene and hydrogen cyanideJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Characterization of IR spectroscopy, APT charge, ESP maps, and AIM analysis of C20 and its C20‐nAln heterofullerene analogous (n = 1–5) using DFTJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Ultrasonic assisted preparation of some new zinc complexes of a new tetradentate Schiff base ligand: thermal analyses data, antimicrobial and DNA cleavage potentialJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Study of volumetric, viscometric, and aggregation properties of losartan potassium and its interaction with amino acids and cetyltrimethylammonium bromide in aqueous solutionJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Investigation of the complexation behavior of polyethylene oxide with surfactant ternary mixture: ConductometryJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Synthesis of nitrophenyl and fluorophenyl azides and diazides by SNAr under phase‐transfer or microwave irradiation: Fast and mild methodologies to prepare photoaffinity labeling, crosslinking, and click chemistry reagentsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Sensing of toxic Lewisite (L1, L2, and L3) molecules by graphdiyne nanoflake using density functional theory calculations and quantum theory of atoms in molecule analysisJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Effects of protecting group and counter‐anion on fluorination, bromination, and intramolecular cyclization of phenethylamine diaryliodonium salts: Quantum chemical analysisJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
The synthesis of pyrrole from C4‐olefinated isoxazole catalyzed by ruthenium: A density functional theory studyJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Theoretical research of second generation molecular motor with unidirectional rotary motionJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
A theoretical study towards understanding the origin of DNA oxidation productsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Computational exploration of the 1,3‐dipolar cycloaddition reaction of 7‐isopropylidenebenzonorbornadiene with nitrile oxide and cyclic nitrone derivativesJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Not all acid sites are created equal: Alkene isomerization and dimerization occur on separate sites on Amberlyst®15 catalystJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
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A computational study of the Hofmann elimination pathway for Morita–Baylis–Hillman reaction under DABCO catalysis: Participation of a bridge‐head ylideJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Estimating the stability and reactivity of novel bicyclic germylenes at density functional theoryJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Combined experimental and density functional theory studies on novel 9‐(4/3/2‐cyanophenyl)‐9H‐carbazole‐3‐carbonitrile compounds for organic electronicsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Designing of U‐shaped acceptor molecules for indoor and outdoor organic solar cell applicationsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Dynamic effects on organic reactivity—Pathways to (and from) discomfortJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
On the empirical scales of organic solvents established using probe/homomorph pairsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
An efficient colorimetric inspection of ammonia using silver nanoparticles synthesized by 3‐(1‐(2‐(2,4‐dinitrophenyl)hydrazono)ethyl)‐1H‐indole as chemo‐sensors in water environmentJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Quantum chemical design of near‐infrared sensitive fused ring electron acceptors containing selenophene as π‐bridge for high‐performance organic solar cellsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
A computational perspective of novel N‐heterocyclic silylenes using density functional theoryJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
First principles study of the optical response of Au8 cluster conjugated with methionine, tryptophan, and tryptophyl‐methionine dipeptideJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Theoretical investigation of Prolyl‐Histidine‐catalyzed intermolecular aldol reactionJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Theoretical unraveling detailed excited state proton transfer mechanism for 2,5‐bis (benzoxazol‐2‐yl)thiophene‐3,4‐diol‐ethyl compound in different solventsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Thermodynamic analysis of micelles formation of anionic surfactant SDS in the presence of aqueous and aqueous solution of ionic liquid 1‐butyl‐3‐methylimidazolium chlorideJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Promising iron(II) complexes of curcumins: designing, density functional theory, and molecular dockingJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Phenyl(triazolyl)carbene revisited: Unique role of triazolyl group on carbene chemistryJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Dual‐spectroscopic real‐time monitoring of the reduction reaction between aristolochic acid I and Fe2+ and its bio‐applicationJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Adsorption of methylene blue onto sugarcane bagasse‐based adsorbent materialsJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Unveiling the high regioselectivity and stereoselectivity within the synthesis of spirooxindolenitropyrrolidine: A molecular electron density theory perspectiveJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Betanidin isomerisation and decarboxylation, thermodynamic and charge transfer dye properties towards dye sensitised solar cells applicationJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Comparative studies of the noncovalent interactions in the single‐crystal packing of pyrene, pyrene‐4,5‐dione, and pyrene‐4,5,9,10‐tetraoneJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Computational investigation of KICl2 iodination of thiophene and its electron‐poor derivativesJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Experimental and theoretical studies of 1,3,5‐tris (bromomethyl)‐2,4,6‐trimethylbenzene with 2‐pyridoneJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
The extended Woodward UV rules formula for all possible structuresJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Aromatic nucleophilic substitution (snar) reactions of halo‐substituted dinitrobenzene in liposome reaction media: Effect of reaction medium and role of halogen leaving groupJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Investigation analysis of optoelectronic and structural properties of cis‐ and trans‐structures of azo dyes: density functional theory studyJournal of physical organic chemistry20 dayssaveRefWorksSFX Info
Betanidin isomerisation and decarboxylation, thermodynamic and charge transfer dye properties towards dye sensitised solar cells applicationJournal of physical organic chemistry113 dayssaveRefWorksSFX Info
Comparative studies of the noncovalent interactions in the single‐crystal packing of pyrene, pyrene‐4,5‐dione, and pyrene‐4,5,9,10‐tetraoneJournal of physical organic chemistry115 dayssaveRefWorksSFX Info
Computational investigation of KICl2 iodination of thiophene and its electron‐poor derivativesJournal of physical organic chemistry118 dayssaveRefWorksSFX Info
Experimental and theoretical studies of 1,3,5‐tris (bromomethyl)‐2,4,6‐trimethylbenzene with 2‐pyridoneJournal of physical organic chemistry119 dayssaveRefWorksSFX Info
The extended Woodward UV rules formula for all possible structuresJournal of physical organic chemistry124 dayssaveRefWorksSFX Info
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