The Citing articles tool gives a list of articles citing the current article. The citing articles come from EDP Sciences database, as well as other publishers participating in CrossRef Cited-by Linking Program. You can set up your personal account to receive an email alert each time this article is cited by a new article (see the menu on the right-hand side of the abstract page).
The XPS of pyridine: A combined theoretical and experimental analysis
Paul S. Bagus, Connie J. Nelin, Michel Sassi, Daniel Baranowski, Marcus A. Sharp, Tom Autrey, Zdenek Dohnálek and Zbynek Novotny The Journal of Chemical Physics 162(8) (2025) https://doi.org/10.1063/5.0249190
Predictable electronic tuning of FeII and RuII complexes via choice of azine: correlation of ligand pKa with Epa(MIII/II) of complex
Matthew G. Robb, Luca Bondì, Santiago Rodríguez-Jiménez, Anna L. Garden, Paul Jerabek and Sally Brooker Dalton Transactions 53(5) 1999 (2024) https://doi.org/10.1039/D3DT03484D
X-ray photoelectron spectroscopy as a useful tool to study surfaces and model systems for heterogeneous catalysts: A review and perspective
Paul S. Bagus, Connie J. Nelin, C. R. Brundle and B. Vincent Crist Journal of Vacuum Science & Technology A 40(2) (2022) https://doi.org/10.1116/6.0001655
Atoms and bonds in molecules as synergisms of interactions between electrons and nuclei
Sudipta Kundu, Satadeep Bhattacharjee, Seung-Cheol Lee and Manish Jain The Journal of Chemical Physics 154(10) (2021) https://doi.org/10.1063/5.0032605
Limitations of the equivalent core model for understanding core-level spectroscopies
Paul S. Bagus, Carmen Sousa and Francesc Illas Physical Chemistry Chemical Physics 22(39) 22617 (2020) https://doi.org/10.1039/D0CP03569F
Why is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis
Emilie B. Guidez, Mark S. Gordon and Klaus Ruedenberg Journal of the American Chemical Society 142(32) 13729 (2020) https://doi.org/10.1021/jacs.0c03082
Orbitals Permit the Interpretation of Core-Level Spectroscopies in Terms of Chemistry
From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization
Maxim V. Ivanov, Denan Wang and Rajendra Rathore Journal of the American Chemical Society 140(14) 4765 (2018) https://doi.org/10.1021/jacs.8b00466
Davydov-type excitonic effects on the absorption spectra of parallel-stacked and herringbone aggregates of pentacene: Time-dependent density-functional theory and time-dependent density-functional tight binding
Ala Aldin M. H. M. Darghouth, Gabriela Calinao Correa, Sacha Juillard, et al. The Journal of Chemical Physics 149(13) (2018) https://doi.org/10.1063/1.5025624
Fundamental relationships between elementary functionals in quantum chemistry. An application for H2 and H2+
Dihedral‐Angle‐Controlled Crossover from Static Hole Delocalization to Dynamic Hopping in Biaryl Cation Radicals
Marat R. Talipov, Tushar S. Navale, Mohammad M. Hossain, Ruchi Shukla, Maxim V. Ivanov and Rajendra Rathore Angewandte Chemie International Edition 56(1) 266 (2017) https://doi.org/10.1002/anie.201609695
Dihedral‐Angle‐Controlled Crossover from Static Hole Delocalization to Dynamic Hopping in Biaryl Cation Radicals
Marat R. Talipov, Tushar S. Navale, Mohammad M. Hossain, Ruchi Shukla, Maxim V. Ivanov and Rajendra Rathore Angewandte Chemie 129(1) 272 (2017) https://doi.org/10.1002/ange.201609695
Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case
Noèlia Pueyo Bellafont, Paul S. Bagus, Carmen Sousa and Francesc Illas The Journal of Chemical Physics 147(2) (2017) https://doi.org/10.1063/1.4991833
Two’s Company, Three’s a Crowd: Exciton Localization in Cofacially Arrayed Polyfluorenes
Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How Important Are Vibrations in Determining the Electronic Coupling for Singlet Fission?
Ethan C. Alguire, Joseph E. Subotnik and Niels H. Damrauer The Journal of Physical Chemistry A 119(2) 299 (2015) https://doi.org/10.1021/jp510777c
Prediction of core level binding energies in density functional theory: Rigorous definition of initial and final state contributions and implications on the physical meaning of Kohn-Sham energies
Noèlia Pueyo Bellafont, Paul S. Bagus and Francesc Illas The Journal of Chemical Physics 142(21) (2015) https://doi.org/10.1063/1.4921823
White polymer light-emitting electrochemical cells using emission from exciplexes with long intermolecular distances formed between polyfluorene and π-conjugated amine molecules
Chemical Potential of Molecules Contrasted to Averaged Atomic Electronegativities: Alarming Differences and Their Theoretical Rationalization
Dipankar Datta, Nirmal K. Shee and László von Szentpály The Journal of Physical Chemistry A 117(1) 200 (2013) https://doi.org/10.1021/jp3103386
Asymptotic expansion of two-electron integrals and its application to Coulomb and exchange lattice sums in metallic, semimetallic, and nonmetallic crystals
Tunable Electronic Coupling and Driving Force in Structurally Well-Defined Tetracene Dimers for Molecular Singlet Fission: A Computational Exploration Using Density Functional Theory
Paul J. Vallett, Jamie L. Snyder and Niels H. Damrauer The Journal of Physical Chemistry A 117(42) 10824 (2013) https://doi.org/10.1021/jp407426q
On the “Wolfsberg–Helmholz Conjecture” of “Extended‐Hückel Theory”
On the Need for Spin Polarization in Heterogeneously Catalyzed Reactions on Nonmagnetic Metallic Surfaces
José L. C. Fajín, M. Natália D. S. Cordeiro, José R. B. Gomes and Francesc Illas Journal of Chemical Theory and Computation 8(5) 1737 (2012) https://doi.org/10.1021/ct3001415
Adsorption of polyfunctional 5‐fluorouracil and 2,4‐dithio‐5‐fluorouracil on Au(111) surface: Structure, energy, and electronic transmission
Semiempirical π-electron models for the calculation of MCD B terms for systems with approximate alternant pairing symmetry. MCD of biphenylene
N. H. Jørgensen, P. B. Pedersen, E. W. Thulstrup and Josef Michl International Journal of Quantum Chemistry 14(S12) 419 (2009) https://doi.org/10.1002/qua.560140835
Simulated ab initio molecular orbital calculations of large polynuclear aromatic hydrocarbons
Brian J. Duke, Deidre R. Eilers, James E. Eilers, Sungzong Kang, A. Liberles and Brian O'Leary International Journal of Quantum Chemistry 9(S2) 155 (2009) https://doi.org/10.1002/qua.560090714
Separable representations of the Coulomb interaction
Temperature Dependence of Iron-Catalyzed Continued Single-Walled Carbon Nanotube Growth Rates: Density Functional Tight-Binding Molecular Dynamics Simulations
Yasuhito Ohta, Yoshiko Okamoto, Stephan Irle and Keiji Morokuma The Journal of Physical Chemistry C 113(1) 159 (2009) https://doi.org/10.1021/jp808493f
A general approximation to the two-center exchange integral between complex STOS
Energy Spectra and Electric and Magnetic Properties of 1D Stacks of Conjugated π-Electron Systems with Defect Surface States. I. π Systems with Tamm Surface States
N. Tyutyulkov, N. Drebov, K. Müllen, A. Staykov and F. Dietz The Journal of Physical Chemistry C 112(16) 6232 (2008) https://doi.org/10.1021/jp7109884
Interaction of Acetone with Single Wall Carbon Nanotubes at Cryogenic Temperatures: A Combined Temperature Programmed Desorption and Theoretical Study
Tight-Binding Configuration Interaction (TBCI): A Noniterative Approach to Incorporating Electrostatics into Tight Binding
Mark A. Iron, Andreas Heyden, Grażyna Staszewska and Donald G. Truhlar Journal of Chemical Theory and Computation 4(5) 804 (2008) https://doi.org/10.1021/ct700343t
Biodegradation of oxygenated and non-oxygenated imidazolium-based ionic liquids in soil
Importance of Polarization in Quantum Mechanics/Molecular Mechanics Descriptions of Electronic Excited States: NaI(H2O)n Photodissociation Dynamics as a Case Study
Extended angular overlap model in the structure theory of transition metal complexes. Basic principles
Yu. V. Rakitin, V. T. Kalinnikov, S. G. Khodasevich and V. M. Novotortsev Russian Journal of Coordination Chemistry 33(8) 551 (2007) https://doi.org/10.1134/S1070328407080015
Bond variations in the complexes [CuCl6]4−
Yu. V. Rakitin, V. T. Kalinnikov, S. G. Khodasevich and V. M. Novotortsev Russian Journal of Coordination Chemistry 33(10) 729 (2007) https://doi.org/10.1134/S107032840710003X
Deuterium Isotope Effect on the Atomic Alignment Dependence in the Reaction of Oriented Ar (3P2) with (CH3CN)2 and (CD3CN)2 Dimers
T. Matsumura, H. Ohoyama, D. Watanabe, K. Yasuda and T. Kasai The Journal of Physical Chemistry A 111(30) 6945 (2007) https://doi.org/10.1021/jp0727446
Effect of Molecular Rotation on the Atomic Alignment Dependence in the Oriented Ar (3P2) + CF3H Reaction
D. Watanabe, H. Ohoyama, T. Matsumura and T. Kasai The Journal of Physical Chemistry A 111(30) 6915 (2007) https://doi.org/10.1021/jp073353u
Probing anisotropic interaction potentials of unsaturated hydrocarbons with He*(2S3) metastable atom: Attractive-site preference of σ-direction in C2H2 and π-direction in C2H4
Takuya Horio, Takuro Hatamoto, Satoshi Maeda, Naoki Kishimoto and Koichi Ohno The Journal of Chemical Physics 124(10) (2006) https://doi.org/10.1063/1.2178298
Reinvestigation of the method used to map the electronic structure of blue copper proteins by NMR relaxation
D. Flemming Hansen, Serge I. Gorelsky, Ritimukta Sarangi, Keith O. Hodgson, Britt Hedman, Hans E. M. Christensen, Edward I. Solomon and Jens J. Led JBIC Journal of Biological Inorganic Chemistry 11(3) 277 (2006) https://doi.org/10.1007/s00775-005-0070-9
Anomalous electron correlation due to near degeneracy effects: Low-lying ionic states of Ne and Ar
A Fast Implementation of Perfect Pairing and Imperfect Pairing Using the Resolution of the Identity Approximation
Alex Sodt, Greg J. O. Beran, Yousung Jung, Brian Austin and Martin Head-Gordon Journal of Chemical Theory and Computation 2(2) 300 (2006) https://doi.org/10.1021/ct050239b
Investigations on the angular distortions around V2+ in CsMgX3 (X=Cl, Br, I)
Penning ionization electron spectroscopy of C6H6 by collision with He*(2 3S) metastable atoms and classical trajectory calculations: Optimization of ab initio model potentials
Masakazu Yamazaki, Satoshi Maeda, Naoki Kishimoto and Koichi Ohno The Journal of Chemical Physics 122(4) (2005) https://doi.org/10.1063/1.1834900
Two-dimensional Penning ionization electron spectroscopic study on outer characteristics of molecules
Koichi Ohno, Masakazu Yamazaki, Satoshi Maeda and Naoki Kishimoto Journal of Electron Spectroscopy and Related Phenomena 142(3) 283 (2005) https://doi.org/10.1016/j.elspec.2004.09.006