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Bond Order Densities in Real Space.
Casals-Sainz JL, Fernández-Alarcón A, Francisco E, Costales A, Martín Pendás Á. Casals-Sainz JL, et al. J Phys Chem A. 2020 Jan 16;124(2):339-352. doi: 10.1021/acs.jpca.9b10113. Epub 2020 Jan 6. J Phys Chem A. 2020. PMID: 31873015
Dative and Electron-Sharing Bonding in C2 F4.
Andrada DM, Casals-Sainz JL, Martín Pendás Á, Frenking G. Andrada DM, et al. Among authors: casals sainz jl. Chemistry. 2018 Jun 26;24(36):9083-9089. doi: 10.1002/chem.201800680. Epub 2018 Jun 6. Chemistry. 2018. PMID: 29578617
The nature of the intermolecular interaction in (H2X)2 (X = O, S, Se).
Fernández-Alarcón A , Guevara-Vela JM , Casals-Sainz JL , Francisco E , Costales A , Martín Pendás Á , Rocha-Rinza T . Fernández-Alarcón A , et al. Among authors: casals sainz jl. Phys Chem Chem Phys. 2021 Apr 28;23(16):10097-10107. doi: 10.1039/d1cp00047k. Phys Chem Chem Phys. 2021. PMID: 33876160
Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer.
Fernández-Alarcón A, Guevara-Vela JM, Casals-Sainz JL, Costales A, Francisco E, Martín Pendás Á, Rocha Rinza T. Fernández-Alarcón A, et al. Among authors: casals sainz jl. Chemistry. 2020 Dec 18;26(71):16951. doi: 10.1002/chem.202004293. Epub 2020 Nov 3. Chemistry. 2020. PMID: 33141456
Photochemistry in Real Space: Batho- and Hypsochromism in the Water Dimer.
Fernández-Alarcón A, Guevara-Vela JM, Casals-Sainz JL, Costales A, Francisco E, Martín Pendás Á, Rocha Rinza T. Fernández-Alarcón A, et al. Among authors: casals sainz jl. Chemistry. 2020 Dec 18;26(71):17035-17045. doi: 10.1002/chem.202002854. Epub 2020 Oct 29. Chemistry. 2020. PMID: 32822523
Exotic Bonding Regimes Uncovered in Excited States.
Casals-Sainz JL, Jara-Cortés J, Hernández-Trujillo J, Guevara-Vela JM, Francisco E, Pendás ÁM. Casals-Sainz JL, et al. Chemistry. 2019 Sep 18;25(52):12169-12179. doi: 10.1002/chem.201902369. Epub 2019 Aug 23. Chemistry. 2019. PMID: 31310392
Partition of electronic excitation energies: the IQA/EOM-CCSD method.
Fernández-Alarcón A , Casals-Sainz JL , Guevara-Vela JM , Costales A , Francisco E , Martín Pendás Á , Rocha-Rinza T . Fernández-Alarcón A , et al. Among authors: casals sainz jl. Phys Chem Chem Phys. 2019 Jun 26;21(25):13428-13439. doi: 10.1039/c9cp00530g. Phys Chem Chem Phys. 2019. PMID: 30942218
11 results