Publications

Fast filter by year:

More filters

Results: 1090

Olaf Cussó, Marco Cianfanelli, Xavi Ribas, RobertusJ.M. Klein Gebbink, Miquel Costas
Iron Catalyzed Highly Enantioselective Epoxidation of Cyclic Aliphatic Enones with Aqueous H2 O2
J. Am. Chem. Soc., 2016, 138, 2732-2738
DOI: 10.1021/jacs.5b12681

David Lauvergnat, JosepM. Luis, Bernard Kirtman, Heribert Reis, André Nauts
Numerical and exact kinetic energy operator using Eckart conditions with one or several reference geometries: Application to HONO
J. Chem. Phys., 2016, 144, 084116
DOI: 10.1063/1.4942172

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

NextPrevious

1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109


  

Author search (ex: matit, swart, …)

Search on publication title:

DOI:

Keyword:

Newer than (year included):

Older than (year included):