The Induced Magnetic Field in Cyclic Molecules

Accurate and simple analytic representation of the electron-gas correlation energy

Perdew, J. P., & Wang, Y. (1992) · Physical review. B, Condensed matter · doi:10.1103/physrevb.45.13244 · Cited by 25,265

Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe

Schleyer, P. V. R., Maerker, C., Dransfeld, A., Jiao, H., & van Eikema Hommes, N. J. R. (1996) · Journal of the American Chemical Society · doi:10.1021/ja960582d · Cited by 6,210

Optimization of Gaussian-type basis sets for local spin density functional calculations. Part I. Boron through neon, optimization technique and validation

Godbout, N., Salahub, D. R., Andzelm, J., & Wimmer, E. (1992) · Canadian Journal of Chemistry · doi:10.1139/v92-079 · Cited by 2,976

An Evaluation of the Aromaticity of Inorganic Rings: Refined Evidence from Magnetic Properties

Schleyer, P. V. R., Jiao, H., Hommes, N. J. R. V. E., Malkin, V. G., & Malkina, O. L. (1997) · Journal of the American Chemical Society · doi:10.1021/ja9719135 · Cited by 978

Dissected Nucleus-Independent Chemical Shift Analysis of π-Aromaticity and Antiaromaticity

Schleyer, P. V. R., Manoharan, M., Wang, Z., Kiran, B., Jiao, H., Puchta, R., & Hommes, N. J. R. V. E. (2001) · Organic Letters · doi:10.1021/ol016217v · Cited by 978

What is aromaticity?

Schleyer, P. V. R., & Jiao, H. (1996) · Pure and Applied Chemistry · doi:10.1351/pac199668020209 · Cited by 969

Theory of Magnetic Susceptibilities and NMR Chemical Shifts in Terms of Localized Quantities

Kutzelnigg, W. (1980) · Israel Journal of Chemistry · doi:10.1002/ijch.198000020 · Cited by 689

The IGLO-Method: Ab-initio Calculation and Interpretation of NMR Chemical Shifts and Magnetic Susceptibilities

Kutzelnigg, W., Fleischer, U., & Schindler, M. (1990) · NMR · doi:10.1007/978-3-642-75932-1_3 · Cited by 616

Aromaticity and antiaromaticity: electronic and structural aspects

(1994) · Choice Reviews Online · doi:10.5860/choice.32-2145 · Cited by 606

Proton Magnetic Resonance of Hydrocarbons

Pople, J. A. (1956) · The Journal of Chemical Physics · doi:10.1063/1.1742701 · Cited by 542

Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion

Chen, Z., Wannere, C. S., Corminboeuf, C., Puchta, R., & Schleyer, P. V. R. (2005) · Chemical Reviews · doi:10.1021/cr030088+ · Cited by 3,847

Energetic Aspects of Cyclic Pi-Electron Delocalization: Evaluation of the Methods of Estimating Aromatic Stabilization Energies

Cyrański, M. K. (2005) · Chemical Reviews · doi:10.1021/cr0300845 · Cited by 642

Calculations of magnetically induced current densities: theory and applications

Sundholm, D., Fliegl, H., & Berger, R. J. F. (2016) · Wiley Interdisciplinary Reviews Computational Molecular Science · doi:10.1002/wcms.1270 · Cited by 385

The Induced Magnetic Field

Islas, R., Heine, T., & Merino, G. (2012) · Accounts of Chemical Research · doi:10.1021/ar200117a · Cited by 299

Recent advances in planar tetracoordinate carbon chemistry

Merino, G., Mendéz-Rojas, M. A., Vela, A., & Heine, T. (2006) · Journal of Computational Chemistry · doi:10.1002/jcc.20515 · Cited by 258

Aromaticity of metallabenzenes and related compounds

Fernández, I., Frenking, G., & Merino, G. (2015) · Chemical Society Reviews · doi:10.1039/c5cs00004a · Cited by 244

The Magnetic Shielding Function of Molecules and Pi-Electron Delocalization

Heine, T., Corminbœuf, C., & Seifert, G. (2005) · Chemical Reviews · doi:10.1021/cr030082k · Cited by 221

Aromaticity: Quo Vadis

Merino, G., Solà, M., Fernández, I., Foroutan-Nejad, C., Lazzeretti, P., Frenking, G., Anderson, H. L., Sundholm, D., Cossío, F. P., Petrukhina, M. A., et al. (2023) · Chemical Science · doi:10.1039/d2sc04998h · Cited by 210

Shannon entropy as a new measure of aromaticity, Shannon aromaticity

Noorizadeh, S., & Shakerzadeh, E. (2010) · Physical Chemistry Chemical Physics · doi:10.1039/b916509f · Cited by 210

Description of Electron Delocalization via the Analysis of Molecular Fields

Merino, G., Vela, A., & Heine, T. (2005) · Chemical Reviews · doi:10.1021/cr030086p · Cited by 198

Borazine: to be or not to be aromatic

Islas, R., Chamorro, E. E., Robles, J., Heine, T., Santos, J. C., & Merino, G. (2007) · Structural Chemistry · doi:10.1007/s11224-007-9229-z · Cited by 190

B 19 − : An Aromatic Wankel Motor

Jiménez‐Halla, J. Ó. C., Islas, R., Heine, T., & Merino, G. (2010) · Angewandte Chemie International Edition · doi:10.1002/anie.201001275 · Cited by 187

DFT study of “all-metal” aromatic compounds

Tsipis, C. A. (2005) · Coordination Chemistry Reviews · doi:10.1016/j.ccr.2005.01.031 · Cited by 182

Unravelling phenomenon of internal rotation in B13+ through chemical bonding analysis

Martínez‐Guajardo, G., Sergeeva, A. P., Boldyrev, A. I., Heine, T., Ugalde, J. M., & Merino, G. (2011) · Chemical Communications · doi:10.1039/c1cc10821b · Cited by 153

Boron Rings Enclosing Planar Hypercoordinate Group 14 Elements

Islas, R., Heine, T., Ito, K., Schleyer, P. V. R., & Merino, G. (2007) · Journal of the American Chemical Society · doi:10.1021/ja074956m · Cited by 148

σ and π contributions to the induced magnetic field: Indicators for the mobility of electrons in molecules

Heine, T., Islas, R., & Merino, G. (2006) · Journal of Computational Chemistry · doi:10.1002/jcc.20548 · Cited by 142

Nucleophilic Reactivities of Deoxy Breslow Intermediates: How Does Aromaticity Affect the Catalytic Activities of N‐Heterocyclic Carbenes?

Maji, B., Horn, M., & Mayr, H. (2012) · Angewandte Chemie International Edition · doi:10.1002/anie.201202327 · Cited by 134

B 18 2− : a quasi-planar bowl member of the Wankel motor family

Moreno, D. V., Pan, S., Zeonjuk, L. L., Islas, R., Osorio, E. H., Martínez‐Guajardo, G., Chattaraj, P. K., Heine, T., & Merino, G. (2014) · Chemical Communications · doi:10.1039/c4cc02225d · Cited by 128

CAl4Be and CAl3Be2−: global minima with a planar pentacoordinate carbon atom

Jiménez‐Halla, J. Ó. C., Wu, Y.-B., Wang, Z., Islas, R., Heine, T., & Merino, G. (2010) · Chemical Communications · doi:10.1039/c0cc03479g · Cited by 125

Synthesis, Crystal Structures, and Properties of 6,12‐Diaryl‐Substituted Indeno[1,2‐b]fluorenes

Nishida, J., Tsukaguchi, S., & Yamashita, Y. (2012) · Chemistry - A European Journal · doi:10.1002/chem.201200591 · Cited by 113

New insight into the anisotropic effects in solution-state NMR spectroscopy

Baranac‐Stojanović, M. (2013) · RSC Advances · doi:10.1039/c3ra45512b · Cited by 105

Dynamical behavior of Borospherene: A Nanobubble

Martínez‐Guajardo, G., Cabellos, J. L., Díaz‐Celaya, A., Pan, S., Islas, R., Chattaraj, P. K., Heine, T., & Merino, G. (2015) · Scientific Reports · doi:10.1038/srep11287 · Cited by 102

Not All That Has a Negative NICS Is Aromatic: The Case of the H-Bonded Cyclic Trimer of HF

Islas, R., Martínez‐Guajardo, G., Jiménez‐Halla, J. Ó. C., Solà, M., & Merino, G. (2010) · Journal of Chemical Theory and Computation · doi:10.1021/ct100098c · Cited by 99

Current Densities and Nucleus‐Independent Chemical Shift Maps from Reciprocal‐Space Density Functional Perturbation Theory Calculations

Sebastiani, D. (2005) · ChemPhysChem · doi:10.1002/cphc.200500438 · Cited by 97

Aromaticity and Stability of Azaborines

Baranac‐Stojanović, M. (2014) · Chemistry – A European Journal · doi:10.1002/chem.201402851 · Cited by 90

Induced magnetic field in sp-hybridized carbon rings: analysis of double aromaticity and antiaromaticity in cyclo[2 N ]carbon allotropes

Charistos, N. D., & Muñoz-Castro, A. (2020) · Physical Chemistry Chemical Physics · doi:10.1039/d0cp01252a · Cited by 88

Planar pentacoordinate carbons in CBe 5 4− derivatives

Grande‐Aztatzi, R., Cabellos, J. L., Islas, R., Infante, I., Mercero, J. M., Restrepo, A. A., & Merino, G. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c4cp05659k · Cited by 86

Planar Hepta-, Octa-, Nona-, and Decacoordinate First Row d-Block Metals Enclosed by Boron Rings

Pu, Z., Ito, K., Schleyer, P. V. R., & Li, Q. (2009) · Inorganic Chemistry · doi:10.1021/ic901377h · Cited by 85

The shielding cone in spherical aromatic structures: insights from models for spherical 2(N + 1) 2 aromatic fullerenes

Muñoz‐Castro, A. (2017) · Physical Chemistry Chemical Physics · doi:10.1039/c7cp01870c · Cited by 83

Designing 3-D Molecular Stars

Tiznado, W., Pérez-Peralta, N., Islas, R., Toro‐Labbé, A., Ugalde, J. M., & Merino, G. (2009) · Journal of the American Chemical Society · doi:10.1021/ja903694d · Cited by 83

Planar tetracoordinate fluorine atoms

Castillo-Toraya, G., Orozco‐Ic, M., Dzib, E., Zárate, X., Ortíz‐Chi, F., Cui, Z., Barroso, J., & Merino, G. (2021) · Chemical Science · doi:10.1039/d1sc01325d · Cited by 85

Planar tetracoordinate carbons with a double bond in CAl 3 E clusters

Cui, Z., Ding, Y.-H., Cabellos, J. L., Osorio, E. H., Islas, R., Restrepo, A. A., & Merino, G. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c4cp05707d · Cited by 81

Interpretation of Electron Delocalization in Benzene, Cyclobutadiene, and Borazine Based on Visualization of Individual Molecular Orbital Contributions to the Induced Magnetic Field

Charistos, N. D., Papadopoulos, A. G., & Sigalas, M. P. (2014) · The Journal of Physical Chemistry A · doi:10.1021/jp411410r · Cited by 80

Calculation of nuclear magnetic resonance shieldings using frozen-density embedding

Jacob, C. R., & Visscher, L. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2370947 · Cited by 79

Efficiency of the NICSzz-scan curves to probe the antiaromaticity of organic and inorganic rings/cages

Tsipis, A. C. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b903677f · Cited by 77

D3h CN3Be3+ and CO3Li3+: viable planar hexacoordinate carbon prototypes

Wu, Y.-B., Duan, Y., Lü, G., Lü, H.-G., Yang, P., Schleyer, P. V. R., Merino, G., Islas, R., & Wang, Z. (2012) · Physical Chemistry Chemical Physics · doi:10.1039/c2cp41822c · Cited by 78

Can the current density map topology be extracted from the nucleus independent chemical shifts?

Damme, S. V., Acke, G., Havenith, R. W. A., & Bultinck, P. (2015) · Physical Chemistry Chemical Physics · doi:10.1039/c5cp07170d · Cited by 77

Interaction Between New Anti-cancer Drug Syndros and CNT(6,6-6) Nanotube for Medical Applications: Geometry Optimization, Molecular Structure, Spectroscopic (NMR, UV/Vis, Excited state), FMO, MEP and HOMO-LUMO Investigation

Sheikhi, M., Shаhаb, S., Khaleghian, M., & Kumar, R. (2017) · Applied Surface Science · doi:10.1016/j.apsusc.2017.10.154 · Cited by 75

Planar Tetracoordinate Carbons in Cyclic Hydrocarbons

Pérez, N., Heine, T., Barthel, R., Seifert, G., Vela, A., Mendéz-Rojas, M. A., & Merino, G. (2005) · Organic Letters · doi:10.1021/ol050170m · Cited by 73

Which NICS method is most consistent with ring current analysis? Assessment in simple monocycles

Báez‐Grez, R., Ruíz, L. M., Pino‐Rios, R., & Tiznado, W. (2018) · RSC Advances · doi:10.1039/c8ra01263f · Cited by 72

Putting pressure on aromaticity along with in situ experimental electron density of a molecular crystal

Casati, N. P. M., Kleppe, A., Jephcoat, A. P., et al. (2016) · Nature Communications · doi:10.1038/ncomms10901 · Cited by 69

Downfield Proton Chemical Shifts Are Not Reliable Aromaticity Indicators

Wannere, C. S., Corminbœuf, C., Allen, W. D., Schaefer, H. F., & Schleyer, P. V. R. (2005) · Organic Letters · doi:10.1021/ol050118q · Cited by 66

Isomerization Energy Decomposition Analysis for Highly Ionic Systems: Case Study of Starlike E 5 Li 7 + Clusters

Contreras, M., Osorio, E. H., Ferraro, F., Puga, G., Donald, K. J., Harrison, J. G., Merino, G., & Tiznado, W. (2013) · Chemistry - A European Journal · doi:10.1002/chem.201203329 · Cited by 65

Exploring the Aromaticity Differences of Isoelectronic Species of Cyclo[18]carbon (C18), B6C6N6, and B9N9: The Role of Carbon Atoms as Connecting Bridges

Wu, Y. B., Liu, Z., Lu, T., Orozco‐Ic, M., Xu, J., Yan, X., Wang, J., & Wang, X. (2023) · Inorganic Chemistry · doi:10.1021/acs.inorgchem.3c02675 · Cited by 66

Solid-State Effects on NMR Chemical Shifts

Orendt, A. M., & Facelli, J. C. (2007) · Annual reports on NMR spectroscopy · doi:10.1016/s0066-4103(07)62003-1 · Cited by 64

Li 2 B 24 : the simplest combination for a three-ring boron tube

Dong, X., Jalife, S., Vásquez‐Espinal, A., Barroso, J., Orozco‐Ic, M., Ravell, E., Cabellos, J. L., Liang, W., Cui, Z., & Merino, G. (2019) · Nanoscale · doi:10.1039/c8nr09173k · Cited by 63

Planar pentacoordinate s-block metals

Wang, M., Kalita, A. J., Orozco‐Ic, M., Yan, G., Chen, C., Yan, B., Castillo-Toraya, G., Tiznado, W., Guha, A. K., Pan, S., et al. (2023) · Chemical Science · doi:10.1039/d2sc05939h · Cited by 63

Actinide 2-metallabiphenylenes that satisfy Hückel’s rule

Pagano, J. K., Xie, J., Erickson, K. A., Cope, S. K., Scott, B. L., Wu, R., Waterman, R., Morris, D. E., Yang, P. X., Gagliardi, L., et al. (2020) · Nature · doi:10.1038/s41586-020-2004-7 · Cited by 62

NMR studies of adsorption and diffusion in porous carbonaceous materials

Forse, A. C., Merlet, C., Grey, C. P., & Griffin, J. M. (2021) · Progress in Nuclear Magnetic Resonance Spectroscopy · doi:10.1016/j.pnmrs.2021.03.003 · Cited by 65

Exploiting electronic strategies to stabilize a planar tetracoordinate carbon in cyclic aromatic hydrocarbons

Yáñez, O., Vásquez‐Espinal, A., Pino‐Rios, R., Ferraro, F., Pan, S., Osorio, E. H., Merino, G., & Tiznado, W. (2017) · Chemical Communications · doi:10.1039/c7cc06248f · Cited by 58

CBe5E− (E = Al, Ga, In, Tl): planar pentacoordinate carbon in heptaatomic clusters

Castro, A. C., Martínez‐Guajardo, G., Johnson, T., Ugalde, J. M., Wu, Y.-B., Mercero, J. M., Heine, T., Donald, K. J., & Merino, G. (2012) · Physical Chemistry Chemical Physics · doi:10.1039/c2cp40839b · Cited by 59

Structure and Electron Delocalization in Al42- and Al44-

Islas, R., Heine, T., & Merino, G. (2007) · Journal of Chemical Theory and Computation · doi:10.1021/ct700009k · Cited by 57

CAl2Be32– and Its Salt Complex LiCAl2Be3–: Anionic Global Minima with Planar Pentacoordinate Carbon

Wu, Y., Duan, Y., Lü, H.-G., & Li, S. (2012) · The Journal of Physical Chemistry A · doi:10.1021/jp300302w · Cited by 57

Planar pentacoordinate carbon in CGa 5 + derivatives

Pan, S., Cabellos, J. L., Orozco‐Ic, M., Chattaraj, P. K., Zhao, L., & Merino, G. (2018) · Physical Chemistry Chemical Physics · doi:10.1039/c8cp01009a · Cited by 58

Aromatic Phosphorus Heterocycles

Nyulászi, L., & Benkő, Z. (2008) · Topics in heterocyclic chemistry · doi:10.1007/978-3-540-68343-8_2 · Cited by 54

Scalar and Spin−Orbit Relativistic Corrections to the NICS and the Induced Magnetic Field: The case of the E122− Spherenes (E = Ge, Sn, Pb)

Castro, A. C., Osorio, E. H., Jiménez‐Halla, J. Ó. C., Matito, E., Tiznado, W., & Merino, G. (2010) · Journal of Chemical Theory and Computation · doi:10.1021/ct100304c · Cited by 54

Is Al 2 Cl 6 Aromatic? Cautions in Superficial NICS Interpretation

Torres‐Vega, J. J., Islas, R., Osorio, E. H., Harrison, J. G., Tiznado, W., & Merino, G. (2013) · The Journal of Physical Chemistry A · doi:10.1021/jp403465f · Cited by 53

Magnetic Response of Aromatic Rings Under Rotation: Aromatic Shielding Cone of Benzene Upon Different Orientations of the Magnetic Field

Papadopoulos, A. G., Charistos, N. D., & Muñoz‐Castro, A. (2017) · ChemPhysChem · doi:10.1002/cphc.201700279 · Cited by 55

Direct Assessment of Electron Delocalization Using NMR Chemical Shifts

Steinmann, S. N., Jana, D. F., Wu, J. I.-C., Schleyer, P. V. R., Mo, Y., & Corminbœuf, C. (2009) · Angewandte Chemie International Edition · doi:10.1002/anie.200905390 · Cited by 51

Nucleophile Reaktivitäten von Desoxy‐Breslow‐Intermediaten: Wie beeinflusst Aromatizität die katalytische Aktivität N‐heterocyclischer Carbene?

Maji, B., Horn, M., & Mayr, H. (2012) · Angewandte Chemie · doi:10.1002/ange.201202327 · Cited by 50

Starlike Aluminum–Carbon Aromatic Species

Wu, Y., Jiang, J., Lü, H.-G., Wang, Z., Pérez-Peralta, N., Islas, R., Contreras, M., Merino, G., Wu, J. I.-C., & Schleyer, P. V. R. (2010) · Chemistry - A European Journal · doi:10.1002/chem.201001266 · Cited by 48

NMR shielding as a probe of intermolecular interactions: ab initio and density functional theory studies

Platts, J. A., & Gkionis, K. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b822560e · Cited by 48

Stabilizing carbon-lithium stars

Pérez-Peralta, N., Contreras, M., Tiznado, W., et al. (2011) · Physical Chemistry Chemical Physics · doi:10.1039/c1cp21061k · Cited by 48

Revisiting Aromaticity and Chemical Bonding of Fluorinated Benzene Derivatives

Torres‐Vega, J. J., Vásquez‐Espinal, A., Ruíz, L. M., Fernández‐Herrera, M. A., Alvarez‐Thon, L., Merino, G., & Tiznado, W. (2015) · ChemistryOpen · doi:10.1002/open.201402110 · Cited by 47

Core-electron contributions to the molecular magnetic response

Orozco‐Ic, M., Charistos, N. D., Muñoz‐Castro, A., Islas, R., Sundholm, D., & Merino, G. (2022) · Physical Chemistry Chemical Physics · doi:10.1039/d1cp05713h · Cited by 46

Unusual Electrocyclic Rearrangements with Group 14 Element Compounds: Reversible Isomerization of a π-Aromatic Digermyl Complex with Carbon−Carbon and Germanium−Germanium Multiple Bond Cleavage

Summerscales, O. T., Jiménez‐Halla, J. Ó. C., Merino, G., et al. (2010) · Journal of the American Chemical Society · doi:10.1021/ja107380p · Cited by 45

Electronic Structure and Aromaticity of an Unusual Cyclo[18]carbon Precursor, C18Br6**

Wang, X., Liu, Z., Wang, J., Lu, T., Xiong, W., Yan, X., Zhao, M., & Orozco‐Ic, M. (2023) · Chemistry - A European Journal · doi:10.1002/chem.202300348 · Cited by 50

Aromatic pathways in mono- and bisphosphorous singly Möbius twisted [28] and [30]hexaphyrins

Fliegl, H., Sundholm, D., & Pichierri, F. (2011) · Physical Chemistry Chemical Physics · doi:10.1039/c1cp21935a · Cited by 43

Core-electron contributions to the magnetic response of molecules with heavy elements and their significance in aromaticity assessments

Orozco‐Ic, M., Soriano-Agueda, L. A., Sundholm, D., Matito, E., & Merino, G. (2024) · Chemical Science · doi:10.1039/d4sc02269f · Cited by 42

A Study of π–π Stacking Interactions and Aromaticity in Polycyclic Aromatic Hydrocarbon/Nucleobase Complexes

Trujillo, C., & Sánchez‐Sanz, G. (2015) · ChemPhysChem · doi:10.1002/cphc.201501019 · Cited by 43

Expansion of Magnetic Aromaticity Criteria to Multilayer Structures: Magnetic Response and Spherical Aromaticity of Matryoshka‐Like Cluster [Sn@Cu 12 @Sn 20 ] 12−

Kulichenko, M., Fedik, N. S., Boldyrev, A. I., & Muñoz‐Castro, A. (2019) · Chemistry - A European Journal · doi:10.1002/chem.201905088 · Cited by 41

Planar pentacoordinate silicon and germanium atoms

Wang, M., Dong, X., Cui, Z., Orozco‐Ic, M., Ding, Y., Barroso, J., & Merino, G. (2020) · Chemical Communications · doi:10.1039/d0cc06107g · Cited by 43

Proton Magnetic Shielding Tensors in Benzene—From the Individual Molecule to the Crystal

Heine, T., Corminbœuf, C., Großmann, G., et al. (2006) · Angewandte Chemie International Edition · doi:10.1002/anie.200601557 · Cited by 39

Aromaticity in heterocyclic analogues of benzene: Dissected NICS and current density analysis

Báez‐Grez, R., Rabanal‐León, W. A., Alvarez‐Thon, L., Ruíz, L. M., Tiznado, W., & Pino‐Rios, R. (2018) · Journal of Physical Organic Chemistry · doi:10.1002/poc.3823 · Cited by 39

Axis-dependent magnetic behavior of C 60 and C 60 10+ . consequences of spherical aromatic character

Muñoz‐Castro, A. (2015) · Chemical Communications · doi:10.1039/c5cc03352g · Cited by 39

Database of Nuclear Independent Chemical Shifts (NICS) versus NICSZZ of Polycyclic Aromatic Hydrocarbons (PAHs)

Álvarez, F., & Ruiz‐Morales, Y. (2019) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.9b00909 · Cited by 38

The Relative Stability of Indole Isomers Is a Consequence of the Glidewell-Lloyd Rule

Pino‐Rios, R., & Solà, M. (2020) · The Journal of Physical Chemistry A · doi:10.1021/acs.jpca.0c09549 · Cited by 40

Polariton ring currents and circular dichroism of Mg-porphyrin in a chiral cavity

Sun, S., Gu, B., & Mukamel, S. (2022) · Chemical Science · doi:10.1039/d1sc04341b · Cited by 41

Structure and Bonding in CE5− (E=Al–Tl) Clusters: Planar Tetracoordinate Carbon versus Pentacoordinate Carbon

Ravell, E., Jalife, S., Barroso, J., Orozco‐Ic, M., Hernández‐Juárez, G., Ortíz‐Chi, F., Pan, S., Cabellos, J. L., & Merino, G. (2018) · Chemistry - An Asian Journal · doi:10.1002/asia.201800261 · Cited by 38

Consequences of Curvature on Induced Magnetic Field: The Case of Helicenes

Orozco‐Ic, M., Barroso, J., Charistos, N. D., Muñoz‐Castro, A., & Merino, G. (2019) · Chemistry - A European Journal · doi:10.1002/chem.201904390 · Cited by 39

Structure and bonding of molecular stirrers with formula B 7 M 2 − and B 8 M 2 (M = Zn, Cd, Hg)

Yu, R., Barroso, J., Wang, M., Liang, W., Chen, C., Zárate, X., Orozco‐Ic, M., Cui, Z., & Merino, G. (2020) · Physical Chemistry Chemical Physics · doi:10.1039/d0cp01603a · Cited by 38

Integration of global ring currents using the Ampère–Maxwell law

Berger, R. J. F., Dimitrova, M., Nasibullin, R. T., Valiev, R. R., & Sundholm, D. (2021) · Physical Chemistry Chemical Physics · doi:10.1039/d1cp05061c · Cited by 38

Non-intersecting ring currents in [12]infinitene

Orozco‐Ic, M., Valiev, R. R., & Sundholm, D. (2022) · Physical Chemistry Chemical Physics · doi:10.1039/d2cp00637e · Cited by 37

Diagnosis of the σ-, π- and (σ+π)-Aromaticity by the Shape of the NICSzz-Scan Curves and Symmetry-Based Selection Rules

Tsipis, A. C., Depastas, I. G., & Tsipis, C. A. (2010) · Symmetry · doi:10.3390/sym2010284 · Cited by 36

Magnetic Response Properties of Coinage Metal Macrocyles. Insights into the Induced Magnetic Field through the Analysis of [Cu 5 (Mes) 5 ], [Ag 4 (Mes) 4 ], and [Au 5 (Mes) 5 ] (Mes = 2,4,6-Me 3 C 6 H 2 )

Muñoz-Castro, A. R. (2012) · The Journal of Physical Chemistry C · doi:10.1021/jp3012443 · Cited by 36

Interpreting the behavior of the by resolving in orbitals, sign, and positions

Acke, G., Damme, S. V., Havenith, R. W. A., & Bultinck, P. (2017) · Journal of Computational Chemistry · doi:10.1002/jcc.25095 · Cited by 36

Planar Tetracoordinate Carbons in Cyclic Semisaturated Hydrocarbons

Pérez-Peralta, N., Sánchez, M., Martin-Polo, J. J., Islas, R., Vela, A., & Merino, G. (2008) · The Journal of Organic Chemistry · doi:10.1021/jo800885x · Cited by 36

Bonding, aromaticity, and structure of trigonal dianion metal clusters

Giri, S., Roy, D. R., Duley, S., et al. (2009) · Journal of Computational Chemistry · doi:10.1002/jcc.21452 · Cited by 36

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