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Results: 1751

Ramon Carbó-Dorca
About the concept of Chemical Space: a concerned reflection on some trends of modern scientific thought within theoretical chemical lore
J. Math. Chem., 2013, 51, 413-419
DOI: 10.1007/s10910-012-0091-x

Ramon Carbó-Dorca
Position-momentum Heisenberg uncertainty in Gaussian enfoldments of Euclidian space
J. Math. Chem., 2013, 51, 420-426
DOI: 10.1007/s10910-012-0094-7

Ramon Carbó-Dorca
Simple comparison of atomic population and shape atomic populations distributions between two molecular structures with a coherent number of atoms
J. Math. Chem., 2013, 51, 774-784
DOI: 10.1007/s10910-012-0116-5

Ramon Carbó-Dorca
A naïve geometrical perspective of Fukui functions: definition of Fukui function skew symmetric matrices described on density function sets
J. Math. Chem., 2013, 51, 843-856
DOI: 10.1007/s10910-012-0120-9

Erik Díaz-Cervantes, Jordi Poater, Juvencio Robles, Marcel Swart, Miquel Solà
Unraveling the origin of the relative stabilities of group 14 M 2N2 2+ (M, N = C, Si, Ge, Sn, and Pb) isomer clusters
J. Phys. Chem. A, 2013, 117, 10462-10469
DOI: 10.1021/jp406071d

Sudip Pan, Miquel Solà, Pratim K. Chattaraj
On the Validity of the Maximum Hardness Principle and the Minimum Electrophilicity Principle during Chemical Reactions
J. Phys. Chem. A, 2013, 117, 1843-1852
DOI: 10.1021/jp312750n

Robert Ponec, Eloy Ramos-Cordoba, Pedro Salvador
Bonding Quandary in the [Cu₃S₂]³⁺ Core: Insights from the Analysis of Domain Averaged Fermi Holes and the Local Spin
J. Phys. Chem. A, 2013, 117, 1975-1982
DOI: 10.1021/jp309295r

Majid El-Hamdi, Miquel Solà, Gernot Frenking, Jordi Poater
Comparison between Alkalimetal and Group 11 Transition Metal Halide and Hydride Tetramers: Molecular Structure and Bonding
J. Phys. Chem. A, 2013, 117, 8026-8034
DOI: 10.1021/jp4051403

ChristopherJ. Lech, AnhTuân Phan, Maria-Elisabeth Michel-Beyerle, Alexander A. Voityuk
Electron-Hole Transfer in G-Quadruplexes with Different Tetrad Stacking Geometries: A Combined QM and MD Study
J. Phys. Chem. B, 2013, 117, 9851-9856
DOI: 10.1021/jp404788t

Alexander A. Voityuk
Estimation of Electronic Coupling for Photoinduced Charge Separation and Charge Recombination Using the Fragment Charge Difference Method
J. Phys. Chem. C, 2013, 117, 2670-2675
DOI: 10.1021/jp311891h