Items where authors include "Karadakov, Peter Borislavov"

Article

Cummings, James and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2023) Aromaticity in the Electronic Ground and Lowest Triplet States of Molecules with Fused Thiophene Rings. Chemistry : A European Journal. e202303724. ISSN 1521-3765

Cooper, David L., Penotti, Fabio E. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2023) Reassessing the Composition of Hybrid Orbitals in Contemporary VB Calculations. Journal of Physical Chemistry A. 4949–4956. ISSN 1089-5639

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2023) How Different are the Diamagnetic and Paramagnetic Contributions to Off-Nucleus Shielding in Aromatic and Antiaromatic Rings? ChemPhysChem. e202300038. ISSN 1439-4235

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Al-Yassiri, Muntadar (2023) Excited State Aromaticity Reversals in Naphthalene and Anthracene. Journal of Physical Chemistry A. 3148–3162. ISSN 1089-5639

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Riley, Tom (2023) The Effect of Hydrogenation on the Contest between Aromaticity and Antiaromaticity in Norcorrole. Chemistry : A European Journal. e202203400. ISSN 1521-3765

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804, Stewart, Ben and Cooper, David L. (2023) Magnetic Shielding Analysis of Bonding in [1.1.1]Propellane. Journal of Physical Chemistry A. pp. 861-869. ISSN 1089-5639

Cooper, David L., Ponec, Robert and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2022) Investigating István Mayer’s “improved” definitions of bond orders and free valence for correlated singlet-state wave functions. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY. e26612. ISSN 0020-7608

Galbraith, John Morrison, Shaik, Sason, Danovich, David et al. (6 more authors) (2021) Valence Bond and Molecular Orbital : Two Powerful Theories that Nicely Complement One Another. JOURNAL OF CHEMICAL EDUCATION. pp. 3617-3620. ISSN 0021-9584

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Preston, Nicholas (2021) Aromaticity reversals and their effect on bonding in the low-lying electronic states of cyclooctatetraene. Physical chemistry chemical physics : PCCP. pp. 24750-24756. ISSN 1463-9084

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and VanVeller, Brett (2021) Magnetic shielding paints an accurate and easy-to-visualize portrait of aromaticity. Chemical communications. pp. 9504-9513. ISSN 1364-548X

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2021) Magnetic shielding study of bonding and aromaticity in corannulene and coronene. Chemistry. pp. 861-872. ISSN 2624-8549

Perry, James M, Nagai Kanasaki, Yu, Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 et al. (1 more author) (2021) Mechanism of dye solubilization and de-aggregation by urea. DYES AND PIGMENTS. 109530. ISSN 0143-7208

Penotti, Fabio E., Cooper, David L. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2021) The Role of Dynamical Electron Correlation in the Differences inBonding Between CaAlH3 and MgAlH3. Journal of Physical Chemistry A. pp. 3912-3919. ISSN 1089-5639

Dunning, Thom, Xu, Lu, Cooper, David L. et al. (1 more author) (2021) Spin-Coupled Generalized Valence Bond Theory: New Perspectives on the Electronic Structure of Molecules and Chemical Bonds. Journal of Physical Chemistry A. pp. 2021-2050. ISSN 1089-5639

Silalahi, Imelda Hotmarisi, Heyam, Alexander Peter, Goult, Christopher et al. (3 more authors) (2020) Nuclear Magnetic Resonance and Computational Study of trans-µ2:η2, η2-1,3-butadiene-bis(trichloroplatinate(II)). Organometallics. pp. 4723-4734. ISSN 0276-7333

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804, Di, Make and Cooper, David L. (2020) Excited-state Aromaticity Reversals in Möbius Annulenes. Journal of Physical Chemistry A. pp. 9611-9616. ISSN 1089-5639

Ponec, Robert, Cooper, David L. and Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2020) Are multicentre bond indices and related quantities reliable predictors of excited-state aromaticity? MOLECULES. 4791. ISSN 1420-3049

Lampkin, Bryan, Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and VanVeller, Brett (2020) Detailed Visualization of Aromaticity Using Isotropic Magnetic Shielding. Angewandte Chemie International Edition. pp. 19275-19281. ISSN 1433-7851

Kotani, Ryota, Liu, Li, Kumar, Pardeep et al. (6 more authors) (2020) Controlling the S1 Energy Profile by Tuning Excited-State Aromaticity. Journal of the American Chemical Society. 14985–14992. ISSN 1520-5126

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Saito, Shohei (2020) Can Anti-Aufbau DFT Calculations Estimate Singlet Excited State Aromaticity? : Correspondence on “Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State”. Angewandte Chemie International Edition. pp. 9228-9230. ISSN 1433-7851

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 (2020) Norcorrole : Aromaticity and Antiaromaticity in Contest. Organic Letters. pp. 8676-8680. ISSN 1523-7052

Lampkin, Bryan, Nguyen, Yen, Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 et al. (1 more author) (2019) Demonstration of Baird's rule complementarity in the singlet state with implications for excited-state intramolecular proton transfer. Physical Chemistry Chemical Physics. pp. 11608-11614. ISSN 1463-9084

Reid, Joshua Elias Samuel James, Aquino, Pedro H. G., Walker, Adam J. et al. (2 more authors) (2019) Statistical thermodynamics unveils how ions influence an aqueous Diels-Alder reaction. ChemPhysChem. pp. 1538-1544. ISSN 1439-4235

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804, Al-Yassiri, Muntadar Abd Al-Barri Hussain and Cooper, David L. (2018) Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low-Lying Electronic States of S2N2. Chemistry : A European Journal. pp. 16791-16803. ISSN 1521-3765

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Cooper, David L. (2018) Does the Electronic Structure of Möbius Annulenes Follow Heilbronner’s Ideas? ChemPhysChem. pp. 3186-3190. ISSN 1439-4235

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Kirsopp, Josh John Mellor (2017) Magnetic Shielding Studies of C2 and C2H2 Support Higher than Triple Bond Multiplicity in C2. Chemistry : A European Journal. pp. 12949-12954. ISSN 1521-3765

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Cooper, David (2017) Modern Valence-Bond Descriptions of Polycyclic Fused Aromatic Compounds Involving Cyclopropenyl Rings. Computational and Theoretical Chemistry. pp. 32-39. ISSN 2210-271X

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804, Hearnshaw, Peter and Horner, Kate Elizabeth (2016) Magnetic Shielding, Aromaticity, Antiaromaticity and Bonding in the Low-Lying Electronic States of Benzene and Cyclobutadiene. Journal of Organic Chemistry. pp. 11346-11352. ISSN 1520-6904

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Cooper, David L. (2016) Modern Valence-Bond Description of Homoaromaticity. Journal of Physical Chemistry A. pp. 8769-8779. ISSN 1089-5639

Karadakov, Peter Borislavov orcid.org/0000-0002-2673-6804 and Horner, Kate Elizabeth (2016) Exploring Chemical Bonds through Variations in Magnetic Shielding. Journal of chemical theory and computation. pp. 558-563. ISSN 1549-9618