Density Functional Theory Based Methods for the Calculation of X‑ray Spectroscopy von Besley, Nicholas A

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Self-consistent-field calculations of core excited states von Besley, Nicholas A., Gilbert, Andrew T. B., Gill, Peter M. W.

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Modeling of the spectroscopy of core electrons with density functional theory von Besley, Nicholas A.

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Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water von Zhovtobriukh, Iurii, Besley, Nicholas A., Fransson, Thomas, Nilsson, Anders, Pettersson, Lars G. M.

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Structure and Bonding in Ionized Water Clusters von Do, Hainam, Besley, Nicholas A

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Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM) von Gilbert, Andrew T. B, Besley, Nicholas A, Gill, Peter M. W

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Proton transfer or hemibonding? The structure and stability of radical cation clusters von DO, Hainam, BESLEY, Nicholas A

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Probing Elusive Cations: Infrared Spectroscopy of Protonated Acetic Acid von Davies, Julia A, Besley, Nicholas A, Yang, Shengfu, Ellis, Andrew M

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The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the x-ray emission spe... von Roper, Ian P. E., Besley, Nicholas A.

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Quantum chemical calculations of tryptophan → heme electron and excitation energy transfer rates in myoglobin von Suess, Christian J., Hirst, Jonathan D., Besley, Nicholas A.

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van der Waals-Induced Chromatic Shifts in Hydrogen-Bonded Two-Dimensional Porphyrin Arrays on Boron Nitride von Korolkov, Vladimir V, Svatek, Simon A, Summerfield, Alex, Kerfoot, James, Yang, Lixu, Taniguchi, Takashi, Watanabe, Kenji, Champness, Neil R, Besley, Nicholas A, Beton, Peter H

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Density Functional Theory Calculations of Core–Electron Binding Energies at the K‑Edge of Heavier Elements von Besley, Nicholas A

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Quantum Chemical Characterization and Design of Quantum Dots for Sensing Applications von Foerster, Aleksandra, Besley, Nicholas A.

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Photoionization of the I 4d and valence orbitals of methyl iodide von Forbes, Ruaridh, De Fanis, Alberto, Rolles, Daniel, Pratt, Stephen T, Powis, Ivan, Besley, Nicholas A, Milosavljević, Aleksandar R, Nicolas, Christophe, Bozek, John D, Holland, David M P

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Vibrational Analysis of Carbon Nanotube-Based Nanomechanical Resonators von Besley, Nicholas A

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Calculating excited state properties using Kohn-Sham density functional theory von Hanson-Heine, Magnus W D, George, Michael W, Besley, Nicholas A

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Photoionization of the iodine 3d, 4s, and 4p orbitals in methyl iodide von Forbes, Ruaridh, De Fanis, Alberto, Bomme, Cédric, Rolles, Daniel, Pratt, Stephen T., Powis, Ivan, Besley, Nicholas A., Simon, Marc, Nandi, Saikat, Milosavljević, Aleksandar R., Nicolas, Christophe, Bozek, John D., Underwood, Jonathan G., Holland, David M. P.

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Fast Time-Dependent Density Functional Theory Calculations of the X‑ray Absorption Spectroscopy of Large Systems von Besley, Nicholas A

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Unusual spectroscopic and photophysical properties of meso-tert-butylBODIPY in comparison to related alkylated BODIPY dyes von Jiao, Lijuan, Yu, Changjiang, Wang, Jun, Briggs, Edward A., Besley, Nicholas A., Robinson, David, Ruedas-Rama, María J., Orte, Angel, Crovetto, Luis, Talavera, Eva M., Alvarez-Pez, Jose M., Van der Auweraer, Mark, Boens, Noël

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Auger electron angular distributions following excitation or ionization of the I 3d level in methyl iodide von Forbes, Ruaridh, De Fanis, Alberto, Bomme, Cédric, Rolles, Daniel, Pratt, Stephen T., Powis, Ivan, Besley, Nicholas A., Nandi, Saikat, Milosavljević, Aleksandar R., Nicolas, Christophe, Bozek, John D., Underwood, Jonathan G., Holland, David M. P.

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