Highly Selective Synthesis of Chlorophenols under Microwave Irradiation by Yawen Xiong, Hongdong Duan, Xia Meng, Zhaoyun Ding, Weichun Feng

“…A proposed reaction mechanism is deduced; one electron transfers from CuCl2 to phenol followed by the formation of tautomeric radical that can be rapidly captured by chlorine atom and converts into para-substituted product.…”
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Study of Generalized Hourglass Section in Carbon Nanocone via Connection Number by Muhammad Mubashar, Muhammad Hussain, Fatimah Abdulrahman Alrawajeh, Sultan Almotairi

“…In the same report, they also discussed another numeric quantity depending on the number of atoms at a distance two from a particular atom and proved influencing results on π-energy of a molecule. …”
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Vibrational and Quantum Chemical Study of Triphenylantimony(V)-o-salicylate by Tanveer Hasan, P. K. Singh, P. Raj, K. Singhal, Neeraj Misra

“…The study of vibrational spectra suggested that the title compound might have secondary bonding interaction between the central antimony atom and the carbonyl oxygen atoms. The atomic charge distribution, geometry optimization and thermochemistry, were also calculated by PM3 method, which help in finding the potential sites of the title compound.…”
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Exploring the influence of copper precursors and solvents on catalyst performance in the hydrogenation of hydroxyacetone to 1,2-Propanediol by Martina Cazzolaro, Jia Yang, De Chen

“…Characterization by TPR allowed the identification of an unexpected consumption of hydrogen per copper atom, which was associated to the ability to localize hydrogen. …”
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Synthesis of a New Type of Trans-Decalin Vitamin D Analogue through a Dyotropic Ring Expansion by Hugo Santalla, Uxía Gómez-Bouzó, Irene Sánchez-Sanz, Yagamare Fall

“…A new vitamin D analogue with a trans-fused decalin as the CD-ring system and containing a sulphur atom in the side chain has been synthesized in our research group. …”
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A Novel Modulation Classification Approach Using Gabor Filter Network by Sajjad Ahmed Ghauri, Ijaz Mansoor Qureshi, Tanveer Ahmed Cheema, Aqdas Naveed Malik

“…The Gabor filter network uses the network structure of two layers; the first layer which is input layer constitutes the adaptive feature extraction part and the second layer constitutes the signal classification part. The Gabor atom parameters are tuned using Delta rule and updating of weights of Gabor filter using least mean square (LMS) algorithm. …”
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Synthesis Characterization and Biological Investigations on Metal Complexes of 2-[(8-Hydroxy-1-quinolin-5-yl) methyl]-1H-isoindole-1, 3 (2H) dione by M. R. Solanki, G. D. Acharya, M. V. Hathi

“…Coordination of the ligand atom to the metal ion was deduced by IR and reflecting spectral data. …”
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Effect of defects such as vacancy with oxygen and adsorbed oxygen on electronic structure of graphene plane by V. A. Sachkov

“…The article is devoted to the study of the effect of vacancytype defects with an oxygen atom attached to the graphene plane depending on the concentration of defects. …”
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On the Computation of Some Topological Descriptors to Find Closed Formulas for Certain Chemical Graphs by Muhammad Haroon Aftab, Muhammad Rafaqat, M. Hussain, Tariq Zia

“…In this research paper, we will compute the topological indices (degree based) such as the ordinary generalized geometric-arithmetic (OGA) index, first and second Gourava indices, first and second hyper-Gourava indices, general Randic´ index RγG,for γ=±1,±1/2, harmonic index, general version of the harmonic index, atom-bond connectivity (ABC) index, SK, SK1, and SK2 indices, sum-connectivity index, general sum-connectivity index, and first general Zagreb and forgotten topological indices for various types of chemical networks such as the subdivided polythiophene network, subdivided hexagonal network, subdivided backbone DNA network, and subdivided honeycomb network. …”
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Origin of Non-Gaussian Velocity Distribution Found in Freestanding Graphene Membranes by Yue Kai, Wenlong Xu, Bailin Zheng, Nan Yang, Kai Zhang, P. M. Thibado

“…From these results, a physical mechanism is provided for the non-Gaussian velocity distribution in terms of carbon atom arrangement in freestanding graphene. Moreover, a new theoretical foundation is proposed for future studies of the anomalous dynamics of carbon atoms in graphene membranes.…”
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Sampling electronic fock states using determinant quantum Monte Carlo by Shuhan Ding, Shaozhi Li, Yao Wang

“…Abstract Analog quantum simulation based on ultracold atoms in optical lattices has catalyzed significant breakthroughs in the study of quantum many-body systems. …”
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Molecular Descriptors on Line Graphs of Cactus Chains and Rooted Products Graphs by Iftikhar Ahmad, Maqbool Ahmad Chaudhry, Tarkan Öner, Tariq Mahmood, Muhammad Hussain

“…The application of graph theory in the study of molecular physical and chemical properties involves theoretical mathematical chemistry. Atoms, represented by vertices, and edges, represented by bonds between them, are detailed in simple graphs called chemical graphs. …”
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QUANTUM TELEPORTATION OF ENTANGLED STATES VIA GENERALIZED PHOTON-ADDED PAIR COHERENT STATE by Thi Hong Thanh Le, Ngoc Duy Tinh Phan, Minh Duc Truong

“…In this paper, we study the quantum teleportation of an unknown atomic state based on the two-photon Jaynes-Cummings model, consisting of an effective two-level atom with a two-mode field in the generalized photon-added pair coherent state (GPAPCS). …”
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On the convergence of Fourier series by Geraldo Soares de Souza

“…Each bn is a special p-atom, that is, a real valued function, defined on (−π,π], which is either b(t)=1/2π or b(t)=−1|I|1/pXR(t)+1|I|1/pXL(t), where I is an interval in (−π,π], L is the left half of I and R is the right half. …”
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Graphene: A Multifunctional Nanomaterial with Versatile Applications by H. C. Ananda Murthy, Suresh Ghotekar, B. Vinay Kumar, Arpita Roy

“…Graphene is a 2D material of high quality obtained from a single atom with unique electronic properties. Graphene has the potential to improve the efficiency, versatility, and durability of a wide range of materials and their applications, but its commercial exploitation will require further study. …”
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Kinetics of Free Radical Polymerization of N-Substituted Amides and Their Structural Implications by Anca Aldea, Ana-Maria Albu, Alina Nicolescu, Victorita Tecuceanu

“…A peculiar aspect regards the steric hindrance at the nitrogen atom.…”
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Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes by Charles See Yeung, Ya Kun Chen, Yan Alexander Wang

“…The rich chemistry of single-walled carbon nanotubes (SWCNTs) is enhanced by substitutional doping, a process in which a single atom of the nanotube sidewall is replaced by a heteroatom. …”
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Analysis of Eccentricity-Based Topological Invariants with Zero-Divisor Graphs by Zhi-hao Hui, Abdul Rauf, Muhammad Mohsin Abbas, Adnan Aslam

“…In this paper, we have computed some eccentricity based topological indices of JR, namely, atom-bond connectivity index (ABC5), eccentricity-based harmonic index of fourth type (H4J), geometric-arithmetic eccentricity index (GA4J), eccentricity-based third Zagreb index, and eccentricity-based first Zagreb index.…”
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Sparse Approximation for Nonrigid Structure from Motion by Yaming Wang, Xiaomeng Yan, Junbao Zheng, Mingfeng Jiang

“…Instead of generating a truncated traditional trajectory basis, this method uses an atom dictionary which includes a set of overcomplete bases to estimate the real shape of the deformable object. …”
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Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide by Erin N. Groneck, Nathan Peek, Will E. Lynch, Clifford W. Padgett

“…In complex (IV), hexakis(isoquinoline N-oxide-κO)zinc(II) bis(perchlorate), [Zn(C9H7NO)6](ClO4)2, the zinc(II) ion occupies a special position with 3 site symmetry and is octahedrally coordinated by six iQNO ligands, albeit with slight distortions evidenced by a spread of cis bond angles from 85.82 (4) to 94.18 (4)°. The chlorine atom of the perchlorate anion lies on a crystallographic threefold axis. …”
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