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Journal of Physical Organic Chemistry
Journal Prestige (SJR): 0.467  Citation Impact (citeScore): 1 Number of Followers: 8  Hybrid journal (It can contain Open Access articles)ISSN (Print) 0894-3230 - ISSN (Online) 1099-1395 Published by John Wiley and Sons  [1764 journals]
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Abstract: Journal of Physical Organic Chemistry, Volume 36, Issue 11, November 2023.
PubDate: 2023-10-20T07:50:00-07:00
DOI: 10.1002/poc.4380
Issue No: Vol. 36, No. 11 (2023)
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Authors: Álvaro Moneo; M. Fernanda N. N. Carvalho, João P. Telo
Abstract: Journal of Physical Organic Chemistry, Volume 36, Issue 11, November 2023.
PubDate: 2023-10-20T07:50:00-07:00
DOI: 10.1002/poc.4381
Issue No: Vol. 36, No. 11 (2023)
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- A comparative study on the cucurbit[7]uril‐based indicator displacement
assay for methyl Viologen. A theoretical and experimental perspective-
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Authors: Paulina Pavez; Angélica Fierro, Mabel Rojas, Luis García‐Rio, Luis Dinamarca‐Villarroel, Denis Fuentealba, Kevin Droguett, José G. Santos, Margarita E. Aliaga
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-29T11:54:06-08:00
DOI: 10.1002/poc.4581
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- Rational design of promising candidates for photoactive layer in polymer
solar cells: Insights from computation-
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Authors: Renato P. Orenha; Salvador B. Ramos, Maria L. L. Natal, Márcio H. A. Gomes, Alvaro Muñoz‐Castro, Letícia M. P. Madureira, Giovanni F. Caramori, Maurício J. Piotrowski, Renato L. T. Parreira
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-28T08:55:00-08:00
DOI: 10.1002/poc.4586
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- Density functional theory for exploration of chemical reactivity:
Successes and limitations-
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Authors: Tanmoy Chakraborty; Pratim K. Chattaraj
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-28T05:33:44-08:00
DOI: 10.1002/poc.4589
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- Insight into acrolein activation by P/B intramolecular frustrated Lewis
pairs-
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Authors: Swapan Sinha; Subhra Das, Santanab Giri
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-27T03:44:02-08:00
DOI: 10.1002/poc.4588
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- Theoretical study on oxidation mechanism of fluorescent probe,
coumarin‐7‐pinacolboronate by various reactive oxygen species-
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Authors: Yujie Guo; Yan Leng, Hongbo Liu, Chun‐Gang Min, Ai‐Min Ren, Qinhong Yin
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-20T07:35:59-08:00
DOI: 10.1002/poc.4585
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- A new method for determining the intrinsic resistance energy of H‐atom
transfer reaction and structure–activity relationship of H‐donating
ability-
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Authors: Yan‐Hua Fu; Fang Wang, Zhongyuan Zhou, Liguo Yang, Guang‐Bin Shen, Xiao‐Qing Zhu
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-20T06:28:25-08:00
DOI: 10.1002/poc.4584
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- Electronegativity effect on the ESIPT process of
4′‐N,N‐dimethylamino‐3‐hydroxyflavone (DMA3HF) and its
derivatives-
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Authors: Zhiqiang Liu; Ligang Han, Xiali Wang, Yi Wang, Yingmin Hou
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-16T10:05:17-08:00
DOI: 10.1002/poc.4583
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- Effect of N, S atoms on the mechanisms of H‐transfer for five‐membered
nitrogen‐containing heterocycles-
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Authors: Yan‐Hua Fu; Kai Wang, Liguo Yang, Guang‐Bin Shen, Xiao‐Qing Zhu
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-11-14T08:34:35-08:00
DOI: 10.1002/poc.4582
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- Cooperativity and topological hydrogen bonding in aromatic diol complexes
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Authors: Robert E. Rosenberg; John S. Lomas
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-27T12:45:40-07:00
DOI: 10.1002/poc.4578
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- Excited‐state tautomerization of cytidine in water solution when
exposed to UVC light-
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Authors: Tsvetina D. Cherneva; Mina M. Todorova, Rumyana I. Bakalska, Ivan G. Shterev, Ernst Horkel, Vassil B. Delchev
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-24T05:59:39-07:00
DOI: 10.1002/poc.4576
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- Peripheral structural modification for devising push–pull strategy into
1,3,5‐triaryl‐2‐pyrazoline‐based compounds for nonlinear optical
insights via density functional theory approach-
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Authors: Muhammad Nadeem Arshad; Muhammad Khalid, Umme Hani, Abdullah M. Asiri
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-24T03:49:40-07:00
DOI: 10.1002/poc.4577
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- Diels–Alder cycloadditions of fullerene: Advances in mechanistic
theory-
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Authors: Hong‐Yan Jiao; Chun‐Xiang Li, Jun‐Ru He, Jia‐Li Peng, Pei‐Ke Jia, Bin‐Bin Xie, Cheng‐Xing Cui
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-24T03:01:42-07:00
DOI: 10.1002/poc.4579
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- Enhancement of metal‐binding affinity for Cu+/Cu2+ complexes by
hydrogen bond network-
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Authors: Ahmad Motahari; Alireza Fattahi
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-17T06:03:42-07:00
DOI: 10.1002/poc.4571
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- Substituted effects on bonding characteristics of
cyclopentane‐1,3‐diyl diradicals monitored by time‐resolved infrared
spectroscopy-
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Authors: Masato Kondoh; Shunsuke Kuboki, Hidetaka Kume, Eriku Oda, Manabu Abe, Taka‐aki Ishibashi
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-11T03:39:00-07:00
DOI: 10.1002/poc.4575
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- Metameric Brooker's versus Reichardt's zwitterions: Conformational
metamorphosis on optoelectronic properties, using coupled‐perturbed and
finite field theories-
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Authors: Divya Pant; Sanyasi Sitha
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-06T03:10:07-07:00
DOI: 10.1002/poc.4569
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- Tandem [4+2]/retro[3+2]/[3+2] cycloaddition reactions of
fluorinated‐oxadiazoles with conjugated, unconjugated, cyclic, and
acyclic dienes-
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Authors: Joshua Atta‐Kumi; George Baffour Pipim, Ernest Opoku
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-02T07:00:19-07:00
DOI: 10.1002/poc.4567
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- Revealing the influence of tether length on the intramolecular [3 + 2]
cycloaddition reactions of nitrones from the molecular electron density
theory perspective-
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Authors: Asmita Mondal; Luis R. Domingo, Nivedita Acharjee
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-10-01T06:50:32-07:00
DOI: 10.1002/poc.4574
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- The increased Diels–Alder reactivity of umpolung tropone: analysis of
individual atoms and bonds using QTAIM and IQA along complete IRC paths-
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Authors: Wagner Eduardo Richter
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-09-29T03:58:21-07:00
DOI: 10.1002/poc.4572
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- Finding the right balance between tertiary amine steric effect and solvent
polarity for the regioselectivity and kinetics of epichlorohydrin
acetolysis-
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Authors: Kseniia Yutilova; Anastasiia Tkach, Vladislav Tarasenko, Elena Shved
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-09-28T11:04:43-07:00
DOI: 10.1002/poc.4573
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- Light in SmI2‐mediated chemistry: Synthetic applications and
mechanistic studies-
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Authors: Subhasmita Patra; Sipramayee Satapathy, Aswini Rath, Akash Kumar Nayak, Sandeepan Maity
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-09-24T07:52:09-07:00
DOI: 10.1002/poc.4570
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- Cyclization of 2,4‐dinitronaphth‐1‐yl amino acids and their
analogues to naphthimindazol‐N‐oxides: Kinetics and mechanism-
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Authors: Alaa Z. Omar; Sherine N. Khattab, Mahmoud F. Ibrahim, Samir K. El‐Sadany, Ezzat A. Hamed
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-09-19T10:12:20-07:00
DOI: 10.1002/poc.4568
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- Theoretical insights into photo‐induced behavior for
3‐(1H‐phenanthro[9,10‐d]imidazol‐2‐yl)‐9‐phenyl‐9H‐carbazol‐4‐ol
fluorophore: Solvation effects-
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Authors: Chang Liu; Han Chen, Lu Feng, Jinfeng Zhao, Liming Fan
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-09-16T02:28:53-07:00
DOI: 10.1002/poc.4566
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- Substitution effect on the adiabatic ionization potential, vertical
ionization potential, electrophilicity, and nucleophilicity of some
hydantoin drug derivatives: Computational study-
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Authors: Zaki Safi; Nuha Wazzan
Abstract: Journal of Physical Organic Chemistry, EarlyView.
PubDate: 2023-09-11T06:33:34-07:00
DOI: 10.1002/poc.4565
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- Dichlorocarbene: From Jack Hine to Robert Moss
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Authors: Matthew S. Platz
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-08-09T08:41:52-07:00
DOI: 10.1002/poc.4563
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- Research on the Reaction Mechanism of 2,4,6‐Trinitrotoluene Resource
Utilization I:Formation of 2,4,6‐Trinitrobenzoic Acid in Acetic Acid
with N,N',N″‐Trihydroxyisocyanuric Acid (THICA) Catalyst-
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Authors: Guan Zhang; Jin Li, Zongkuan Liu
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-08-03T11:24:41-07:00
DOI: 10.1002/poc.4564
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- Charge Localization in Bis (Dioxaborine) Radical Anions
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Authors: Álvaro Moneo; M. Fernanda N. N. Carvalho, João P. Telo
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-08-01T12:44:18-07:00
DOI: 10.1002/poc.4562
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- Machine‐learning assisted study of correlation between
post‐transition‐state bifurcation and initial phase information at the
ambimodal transition state-
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Authors: Tatsuhiro Murakami; Yuya Kikuma, Shunichi Ibuki, Naoki Matsumoto, Kanon Ogino, Yu Hashimoto, Toshiyuki Takayanagi
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-08-01T07:21:42-07:00
DOI: 10.1002/poc.4561
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- Study of the chlorogenic acid extraction with choline chloride‐based
deep eutectic solvents and its DFT non‐covalent interactions analysis-
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Authors: Ilse V. Herrera‐Beltrán; Mauricio Méndez‐Torruco, Myrna H. Matus, Zaira Domínguez
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-07-21T08:10:18-07:00
DOI: 10.1002/poc.4560
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- Effect of Cucurbit[7]uril on contrasting binding with Flavonoids: Insights
from Spectroscopy and Calorimetric Studies-
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Authors: Rabindranath Jana; Souvik Pandit, Sanyukta Bhattacharjee, Debabrata Seth
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-07-13T08:13:40-07:00
DOI: 10.1002/poc.4559
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- DFT investigations on the mechanisms and kinetics for the DMS + O3
reaction-
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Authors: Shuangjun Wang; Hui Zhao, Dong Chen, Chenggang Lu, Yizhen Tang
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-07-07T05:44:06-07:00
DOI: 10.1002/poc.4558
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- In silico end‐capped engineering of 4,4'‐dimethyl‐[2,
2'‐bithiazole] core‐based acceptor materials for high performance
organic solar cells-
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Authors: Samreen Kousar; Fatiqa Zafar, Asifa Rani, Riaz Hussain, Javed Iqbal, Muhammad Amin Abid, Waseeq‐Ul‐Islam Zafar, Muhammad Adnan, Mahrzadi Noreen Shahi
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-07-05T10:56:42-07:00
DOI: 10.1002/poc.4557
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- Exploring the Intermolecular Interactions in Carbon Disulfide Dimer: An Ab
Initio Study Using an Improved Lennard‐Jones Potential Energy Surface
for Physical Insights-
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Authors: Waqas Amber Gill; Muhammad Usman Khan, Zunaira Shafiq, Muhammad Ramzan Saeed Ashraf Janjua
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-06-05T03:38:18-07:00
DOI: 10.1002/poc.4548
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- A Computational Study of Double Perovskites A2BI6 (A = Cs, K, Rb; B = Pt,
Sn) Invoking Density Functional Theory-
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Authors: Bobby Solanki; Pooja Sharma, Prabhat Ranjan, Pancham Kumar, Tanmoy Chakraborty
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-05-07T07:43:15-07:00
DOI: 10.1002/poc.4519
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- Unraveling the dependence of proton transfer on solvent polarity in ion
pairs of carbamates and dithiocarbamates with nitrogen‐based counterions
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Authors: Louis Poon; Jacob R. Hum, Miklos Kertesz, Richard G. Weiss
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-04-11T07:50:55-07:00
DOI: 10.1002/poc.4508
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- Incorporation of graphene oxide to metal‐free phthalocyanine through
hydrogen bonding for optoelectronic applications: An experimental and
computational study-
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Authors: Ebru Yabaş; Ebru Şenadım‐Tüzemen, Savaş Kaya, Michael M. Maslow, Fuat Erden
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-02-03T09:53:51-08:00
DOI: 10.1002/poc.4496
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- Electronic and Optical Properties of Lead‐free Double Perovskites A2BCl6
(A = Rb, Cs; B = Si, Ge, Sn) for Solar Cell Applications: A Systematic
Computational Study-
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Authors: Saloni; Pancham Kumar, Pooja Sharma, Prabhat Ranjan, Tanmoy Chakraborty
Abstract: Journal of Physical Organic Chemistry, Accepted Article.
PubDate: 2023-01-29T04:57:56-08:00
DOI: 10.1002/poc.4492
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