The Nature of the Chemical Bond. V

The theory of the structure of ethylene and a note on the structure of ethane

Penney, W. G. (1934) · Proceedings of the Royal Society of London Series A Containing Papers of a Mathematical and Physical Character · doi:10.1098/rspa.1934.0041 · Cited by 55

A Calculation of the Equilibria in Keto-Enol Tautomerism

Wheland, G. W. (1933) · The Journal of Chemical Physics · doi:10.1063/1.1749236 · Cited by 14

Disordered atomic column state in Fe-Mo alloys

Hirata, A., & Koyama, Y. (2004) · Physical Review B · doi:10.1103/physrevb.70.134203 · Cited by 12

Physical origin of chemical trends in glass formation in alkali tellurites: Reconciliation of constraint theory with experiments

Narayanan, R. A. (2001) · Physical review. B, Condensed matter · doi:10.1103/physrevb.64.134207 · Cited by 11

Comparison between experimental and theoretical determination of the local structure of the GaAs1−yNy dilute nitride alloy

Ciatto, G., d’Acapito, F., Sanna, S., Fiorentini, V., Polimeni, A., Capizzi, M., Mobilio, S., & Boscherini, F. (2005) · Physical Review B · doi:10.1103/physrevb.71.115210 · Cited by 11

Exploring exchange mechanisms with a cold-atom gas

Bugnion, P. O., & Conduit, G. J. (2013) · Physical Review A · doi:10.1103/physreva.88.013601 · Cited by 10

Ab initiodensity-functional study of the equilibrium geometries and the electronic properties of Li10−nSnn(n=0–10) clusters

Lee, M., Kanhere, D. G., & Joshi, K. (2005) · Physical Review A · doi:10.1103/physreva.72.015201 · Cited by 10

Theory of defect complexes in insulators

Raebiger, H. (2010) · Physical Review B · doi:10.1103/physrevb.82.073104 · Cited by 9

Neutral Silylyne Complex of Molybdenum: Synthesis, Properties, and Access to Silaiminoacyl Complexes via [2+3] Cycloaddition

Hashimoto, H., Watanabe, K., Yoshimoto, T., Hayakawa, N., Matsuo, T., & Tobita, H. (2023) · Chemistry - A European Journal · doi:10.1002/chem.202302470 · Cited by 8

Effects of raw materials on nonhydrolytic sol-gel synthesis of Ba0.6Sr0.4TiO3

Yin, L., Jiang, F., Feng, G., Wu, C., Tan, J., Wu, Q., Zhang, Q., Hu, Q. C., Liu, J., & Jiang, W. (2022) · Ceramics International · doi:10.1016/j.ceramint.2022.05.165 · Cited by 8

Coarse-grained density functional theories for metallic alloys: Generalized coherent-potential approximations and charge-excess functional theory

Bruno, E., Mammano, F., Fiorino, A., & Morabito, E. V. (2008) · Physical Review B · doi:10.1103/physrevb.77.155108 · Cited by 8

Hexafluorophosphate of the Bis(naphthalene) Radical Cation

Fritz, H. P., Gebauer, H., Friedrich, P., & Schubert, U. (1978) · Angewandte Chemie International Edition in English · doi:10.1002/anie.197802751 · Cited by 8

Rumpled relaxation and surface core-level shift in PbS(001)

Batyrev, I. G., Kleinman, L., & Leiro, J. A. (2004) · Physical Review B · doi:10.1103/physrevb.70.073310 · Cited by 8

Negative photoion spectroscopy of freon molecules in the vicinity of the Cl2p edge

Scully, S. W. J., Mackie, R. A., Browning, R., Dunn, K. F., & Latimer, C. J. (2004) · Physical Review A · doi:10.1103/physreva.70.042707 · Cited by 8

Particle-hole doping asymmetry in Pb2Sr2YCu3O8 -class superconductors

Blackstead, H. A., & Dow, J. D. (2000) · Physical review. B, Condensed matter · doi:10.1103/physrevb.62.9050 · Cited by 8

Polar EuO(111) on Ir(111): A two-dimensional oxide

Schumacher, S., Förster, D. F., Hu, F., Frauenheim, T., Wehling, T. O., & Michely, T. (2014) · Physical Review B · doi:10.1103/physrevb.89.115410 · Cited by 7

Surface polymerization of epitaxial Sb wires on Si(001)

Rogge, S. M. J., Timmerman, R. H., Scholte, P. M. L. O., Geerligs, L. J., & Salemink, H. W. M. (2000) · Physical review. B, Condensed matter · doi:10.1103/physrevb.62.15341 · Cited by 7

Deviation in tuning of optical properties of polycrystalline AgSeTe thin films

Chaudhary, N., Tripathi, S. K., & Goyal, N. (2018) · Integrated ferroelectrics · doi:10.1080/10584587.2017.1370320 · Cited by 6

Exploiting the (–C–H···C–) Interaction to Design Cage-Functionalized Organic Superbases and Hyperbases: A Computational Study

Saha, A., & Ganguly, B. (2023) · ACS Omega · doi:10.1021/acsomega.3c05401 · Cited by 6

Über die Grenzen einer sinnvollen Anwendung des Mesomerie‐ und des Resonanzbegriffes

Hückel, W. (1966) · Journal für praktische Chemie · doi:10.1002/prac.19660330102 · Cited by 5

Electronic structure of PTCDA on Sn/Si(111)- 3 × 3

Zhang, H., Gustafsson, J. B., & Johansson, L. S. O. (2011) · Physical Review B · doi:10.1103/physrevb.84.205420 · Cited by 5

Neutron diffraction study of orientational freezing in TlNO2 and CsNO2

Feyerherm, R., Collins, M. F., & Johari, G. P. (1998) · Physical review. B, Condensed matter · doi:10.1103/physrevb.57.11125 · Cited by 5

-Comparison of σ/ π-hole aerogen-bonding interactions based on C2H4···NgOX2 (Ng = Kr, Xe; X = F, Cl, Br) complexes

Deng, Y., Zanzhang, Cao, W., Liu, Y., Zheng, B., & Wang, Z. (2022) · Journal of Molecular Modeling · doi:10.1007/s00894-022-05290-w · Cited by 5

A Theoretical Approach to the Thermal Stabilities of Hydrous Minerals. I. General Principles as Revealed by Studies of Hydroxides and Oxyacids

Ramberg, H. (1954) · The Journal of Geology · doi:10.1086/626175 · Cited by 5

Iron-induced hydride formation in ZrPd2 : First-principles calculations

Gupta, M., Gupta, R. P., & Singh, D. (2008) · Physical Review B · doi:10.1103/physrevb.78.153104 · Cited by 5

Reply to “Comment on ‘Spin- and charge-ordering in oxygen-vacancy-ordered mixed-valence Sr4Fe4O11 ’ ”

Ravindran, P., Vidya, R., Fjellvåg, H., & Kjekshus, A. (2008) · Physical Review B · doi:10.1103/physrevb.77.136402 · Cited by 5

Chemical Bonding

Pan, S., & Frenking, G. (2024) · doi:10.1002/9783527843435.ch5 · Cited by 5

Different Reactivity of Birnessite and Cryptomelane toward Isoprene: Effect of Structure, Morphology, and Exposed Faces

Liu, P., Kong, Y., Wei, G., Liang, X., Liao, Y., Wang, C., Ren, Q., Li, T., Fu, M., Suib, S. L., et al. (2022) · The Journal of Physical Chemistry C · doi:10.1021/acs.jpcc.2c03418 · Cited by 4

Reducible chains of planar 1-cycle resonant graphs

Guo, X., & Zhang, F. (2003) · Discrete Mathematics · doi:10.1016/s0012-365x(03)00102-x · Cited by 4

Sampling and Analysis

Clark, I. (2015) · CRC Press eBooks · doi:10.1201/b18347-12 · Cited by 3

Novel Depressant Based on Hybridization Theory for the Separation of Galena and Realgar: Experimental Study and Adsorption Mechanism

Zhao, Z., Gao, Z., Sun, C., Zhang, Y., Liu, C., Lu, T., Zhu, Y., Wu, G., Li, R., & Hu, J. (2025) · Minerals · doi:10.3390/min15030200 · Cited by 3

Planar k-cycle resonant graphs with k=1,2

Guo, X., & Zhang, F. (2003) · Discrete Applied Mathematics · doi:10.1016/s0166-218x(02)00577-2 · Cited by 3

Unveiling the dehydrogenation mechanism of dihydrogen‐bonded phenol‐borane‐dimethylamine complex in the ground and excited states

Li, C., Hu, B., Cao, Y., & Li, Y. (2022) · Journal of Physical Organic Chemistry · doi:10.1002/poc.4415 · Cited by 3

Crystallization of TiO2 in Sol-Gel Derived SiO2-TiO2 System: Formation of TiO2(B) Nanocrystallites

Kogure, T., Umezawa, T., Kotani, Y., Matsuda, A., Tatsumisago, M., & Minami, T. (1999) · MRS Proceedings · doi:10.1557/proc-580-213 · Cited by 3

Compression of seven vacancy-ordered phases of ScxS to 50 GPa

Peiris, S. M., & Heinz, D. L. (1998) · Physical review. B, Condensed matter · doi:10.1103/physrevb.58.3003 · Cited by 3

Novel Local Free Energy Minimum on the Cu(001) Surface

Ovsyanko, M., Stoian, G., Wormeester, H., & Bene Poelsema, B. (2004) · Physical Review Letters · doi:10.1103/physrevlett.93.086103 · Cited by 3

The Exotically Stoichiometric Compounds and Superconductivity of Lithium–Copper Systems under High Pressure

Jiang, M., Tian, Y., Liang, Y., Zhong, X., & Liu, H. (2022) · The Journal of Physical Chemistry Letters · doi:10.1021/acs.jpclett.2c02367 · Cited by 2

Reply to “Comment on ‘Use of a variable-charge interatomic potential for atomistic simulations of bulk, oxygen vacancies, and surfaces of rutile TiO2 ’ ”

Hallil, A., Tétot, R., Berthier, F., Braems, I., & Creuze, J. (2007) · Physical Review B · doi:10.1103/physrevb.76.167402 · Cited by 2

Unlocking performance: the progress and analysis of hole-injection materials (HIMs) in advancing organic optoelectronics

Xu, H., Yan, H., Chen, D., Wang, J., He, Q., Ning, F., Meng, L., & Meng, H. (2026) · Journal of Materials Chemistry C · doi:10.1039/d6tc01152g · Cited by 1

Sodium‐Based Battery Component Design: Imitating Lithium or Forging New Paths?

Wang, X., Song, Z., Feng, W., Schütte, M., Berg, S., Cai, F., Maccio‐Figgemeier, V., Sauer, D. U., Passerini, S., Armand, M. B., et al. (2026) · Small · doi:10.1002/smll.74225 · Cited by 1

Fermi surface, structural and electronic properties of ThCr 2 Si 2 -type charge-balanced KFe 2 AsSe: A parent system for the group of mixed pnictide-chalcogenide superconductors

Shein, I. R., & Ivanovskii, A. L. (2011) · Physical Review B · doi:10.1103/physrevb.84.184509 · Cited by 1

Die quantenmechanische Behandlung der aromatischen C—C-Bindung

Clar, E. (1941) · Organische Chemie in Einzeldarstellungen · doi:10.1007/978-3-642-90761-6_4 · Cited by 1

Influence of defects on the high temperature mechanical behaviour of yttria fully-stabilized zirconia single crystals

García, D. G., Gallardo-López, A., Martínez-Fernández, J., & Domínguez-Rodríguez, A. (1999) · Radiation effects and defects in solids · doi:10.1080/10420159908245941 · Cited by 1

Recent Soviet Pronouncements on Molecular Structure

STUBBS, A. E. (1952) · Nature · doi:10.1038/169860a0

Méthode d'Obtention Rapide des Indices de Liaison des Hydrocarbures Alternants

CHALVET, O. (1956) · Recueil des Travaux Chimiques des Pays-Bas · doi:10.1002/recl.19560750405

Allgemeiner Teil

Clar, E. (1952) · Organische Chemie in Einzeldarstellungen · doi:10.1007/978-3-642-85658-7_2

Errata

(1956) · Recueil des Travaux Chimiques des Pays-Bas · doi:10.1002/recl.19560750404

Bibliography

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Interface optimization and performance improvement of YbAl3/Bi0.5Sb1.5Te3 artificially tilted multilayer thermoelectric devices

Zhu, W., He, Q., Nie, X., He, D., Zhang, Y., Wei, P., Zhao, W., & Zhang, Q. (2025) · Materials Chemistry and Physics · doi:10.1016/j.matchemphys.2025.131321

Intermediate-temperature direct ammonia solid oxide fuel cell engineered by surface modification with cobalt and gadolinium-doped ceria

Choi, Y., Yoon, Y., Kim, K., & Hong, J. (2026) · Chemical Engineering Journal · doi:10.1016/j.cej.2026.174798

Bond-Aware Moving Clusters of Atomic Trajectories with Relaxed Persistency

Shamail, A., Anowar, M. H., Trajcevski, G., Khokhar, A., Murad, S., & Jameson, C. (2026) · ACM Transactions on Spatial Algorithms and Systems · doi:10.1145/3804446

Characterizing the Structure and Radiation Resistance of Weberite-Type Complex Oxides

Gussev, I. M. (2023) · doi:10.70675/bfca668czc00dz474az9483z81855e13f996

First-principles prediction of yield strength and hardness in body-centered cubic refractory-based medium, high, and super high entropy alloys

Hasan, S., Adhikari, P., Baral, K., & Ching, W. Y. (2026) · RSC Advances · doi:10.1039/d6ra01515h

Ultrawide-bandgap semiconductors beyond SiC and GaN: A multidimensional framework for the emerging fourth generation

Zhang, W., Chen, Q., Chang, Y., 宁树兴, & Zhu, H. (2026) · Journal of Materiomics · doi:10.1016/j.jmat.2026.101337

The Nature of the Chemical Bond. V The Quantum Mechanical Calculation of the Resonance Energy of Benzene and Naphthalene and the Hydrocarbon Free Radicals

Pauling, L. C., & Wheland, G. W. (1968) · Harvard University Press eBooks · doi:10.4159/harvard.9780674366701.c55

The Nature of the Chemical Bond. VII. The Calculation of Resonance Energy in Conjugated Systems

Pauling, L. C., & Sherman, J. (1933) · The Journal of Chemical Physics · doi:10.1063/1.1749226 · Cited by 69

A Theoretical Calculation of the Resonance Energies and Ultraviolet Spectra of Benzene and Naphthalene

van Dranen, J., & Ketelaar, J. A. A. (1950) · The Journal of Chemical Physics · doi:10.1063/1.1747443 · Cited by 5

Quantum-Mechanical Calculation of the Bond Energy of the Nitrogen Molecule

Brüchner, H. J. (1956) · The Journal of Chemical Physics · doi:10.1063/1.1742901 · Cited by 3

Resonance in catacondensed benzenoid hydrocarbons

Randi, M. (1997) · International Journal of Quantum Chemistry · doi:10.1002/(sici)1097-461x(1997)63:2 · Cited by 43