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Results: 1059

Maria A. Trachsel, Timo Wiedmer, Susan Blaser, Hans-Martin Frey, Quansong Li, Sergi Ruiz-Barragan, Lluís Blancafort, Samuel Leutwyler
The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine
J. Chem. Phys., 2016, 145, 134307
DOI: 10.1063/1.4964091

Sergei F. Vyboishchikov
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms
J. Comp. Chem., 2016, 37, 2677-2686
DOI: 10.1002/jcc.24493

Majid El-Hamdi, Miquel Solà, Jordi Poater, Alexey Y. Timoshkin
Complexes of adamantane-based group 13 Lewis acids and superacids: Bonding analysis and thermodynamics of hydrogen splitting
J. Comput. Chem., 2016, 37, 1355-1362
DOI: 10.1002/jcc.24328

JuanPablo Martínez, Miquel Solà, Alexander A. Voityuk
Theoretical estimation of the rate of photoinduced charge transfer reactions in triphenylamine C60 donor-acceptor conjugate
J. Comput. Chem., 2016, 37, 1396-1405
DOI: 10.1002/jcc.24355

Ramon Carbó-Dorca
Aromaticity, quantum multimolecular polyhedra, and quantum QSPR fundamental equation
J. Comput. Chem., 2016, 37, 78-82
DOI: 10.1002/jcc.24021

Xing-Liang Peng, Sergi Ruiz-Barragan, Ze-Sheng Li, Quan-Song Li, Lluís Blancafort
Restricted access to a conical intersection to explain aggregation induced emission in dimethyl tetraphenylsilole
J. Mater. Chem. C, 2016, 4, 2802-2810
DOI: 10.1039/c5tc03322e

Ramon Carbó-Dorca
N-dimensional Boolean hypercubes and the goldbach conjecture
J. Math. Chem., 2016, 54, 1213-1220
DOI: 10.1007/s10910-016-0628-5

Ramon Carbó-Dorca
On the nature of the collective quantum mechanical description of molecular atoms and bonds
J. Math. Chem., 2016, 54, 1440-1446
DOI: 10.1007/s10910-016-0629-4

Ramon Carbó-Dorca
Time vectors and particle swarms defined as polyhedra in spherically enfolded spaces
J. Math. Chem., 2016, 54, 1751-1757
DOI: 10.1007/s10910-016-0648-1

Ramon Carbó-Dorca
A study on Goldbach conjecture
J. Math. Chem., 2016, 54, 1798-1809
DOI: 10.1007/s10910-016-0649-0

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