Publications

Fast filter by year:

More filters

Results: 1626

Ferran Feixas, Miquel Solà, Juan M. Barroso, Jesus M. Ugalde, Eduard Matito
New Approximation to the Third-Order Density. Application to the Calculation of Correlated Multicenter Indices
J. Chem. Theory Comput., 2014, 10, 3055-3065
DOI: 10.1021/ct5002736

Israel Fernández, Miquel Solà, F. Matthias Bickelhaupt
Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes Ng
J. Chem. Theory Comput., 2014, 10, 3863-3870
DOI: 10.1021/ct500444z

Albert Poater, Eva Pump, Sai Vikrama Chaitanya Vummaleti, Luigi Cavallo
The Right Computational Recipe for Olefin Metathesis with Ru-Based Catalysts: The Whole Mechanism of Ring-Closing Olefin Metathesis
J. Chem. Theory Comput., 2014, 10, 4442-4448
DOI: 10.1021/ct5003863

Alexander A. Voityuk
INDO/X: A New Semiempirical Method for Excited States of Organic and Biological Molecules
J. Chem. Theory Comput., 2014, 10, 4950-4958
DOI: 10.1021/ct500717u

Eloy Ramos-Cordoba, Pedro Salvador
Characterization and Quantification of Polyradical Character
J. Chem. Theory Comput., 2014, 10, 634-641
DOI: 10.1021/ct401009p

Natalie Gorczak, Marcel Swart, Ferdinand C. Grozema
Energetics of charges in organic semiconductors and at organic donor–acceptor interfaces
J. Mater. Chem. C, 2014, 2, 3467-3475
DOI: 10.1039/c3tc32475c

Ramon Carbó-Dorca
Multimolecular polyhedra and QSPR
J. Math. Chem., 2014, 52, 1848-1856
DOI: 10.1007/s10910-014-0351-z

Ramon Carbó-Dorca, Emili Besalú
A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg’s uncertainty relation
J. Math. Chem., 2014, 52, 1949-1967
DOI: 10.1007/s10910-014-0358-5

Óscar Torres, Anna Roglans, Anna Pla-Quintana, Josep M. Luis, Miquel Solà
Computational insight into Wilkinson’s complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation
J. Organomet. Chem., 2014, 768, 15-22
DOI: 10.1016/j.jorganchem.2014.06.014

Laia Guillaumes, Pedro Salvador, Sílvia Simon
A Fuzzy-Atom Analysis of Electron Delocalization on Hydrogen Bonds
J. Phys. Chem. A, 2014, 118, 1142-1149
DOI: 10.1021/jp4119869

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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163


  

Author search:
You can use AND or OR (case sensitive), but not mixed.
Example: (author1 AND author2 AND authorN) or (author1 OR author2 OR authorN).

Search on publication title:

DOI:

Keyword:

Newer than (year included):

Older than (year included):