Publications

Fast filter by year:

More filters

Results: 1627

Robert Zaleśny, Angelika Baranowska-Łączkowska, Miroslav Medveď, Josep M. Luis
Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities
J. Chem. Theory Comput., 2015, 11, 4119-4128
DOI: 10.1021/acs.jctc.5b00434

Sergei F. Vyboishchikov
Modeling exact exchange potential in spherically confined atoms
J. Comput. Chem., 2015, 36, 2037-2043
DOI: 10.1002/jcc.24040

Marcel Swart, P. Th. van Duijnen
Rapid determination of polarizability exaltation in fullerene-based nanostructures
J. Mater. Chem. C, 2015, 3, 23-25
DOI: 10.1039/C4TC02060J

Ramon Carbó-Dorca
Least squares estimation of unknown molecular properties and quantum QSPR fundamental equation
J. Math. Chem., 2015, 53, 1651-1656
DOI: 10.1007/s10910-015-0521-7

Ramon Carbó-Dorca
An isometric representation problem in quantum multimolecular polyhedra and similarity
J. Math. Chem., 2015, 53, 1750-1758
DOI: 10.1007/s10910-015-0516-4

Ramon Carbó-Dorca
An isometric representation problem in quantum multimolecular polyhedra and similarity: (2) synisometry
J. Math. Chem., 2015, 53, 1876-1884
DOI: 10.1007/s10910-015-0525-3

Ramon Carbó-Dorca
Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion
J. Math. Chem., 2015, 53, 590-603
DOI: 10.1007/s10910-014-0436-8
Keywords: Molecular similarity

ChristopherJ. Lech, AnhTuân Phan, Maria-Elisabeth Michel-Beyerle, Alexander A. Voityuk
Influence of Base Stacking Geometry on the Nature of Excited States in G-Quadruplexes: A Time-Dependent DFT Study
J. Phys. Chem. B, 2015, 119, 3697-3705
DOI: 10.1021/jp512767j

Alexander A. Voityuk
Interaction of Dark Excited States. Comparison of Computational Approaches
J. Phys. Chem. B, 2015, 119, 7417-7421
DOI: 10.1021/jp511035p

Marina Corbella, Alexander A. Voityuk, Carles Curutchet
Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-MethyltransferaseHha I Complexes
J. Phys. Chem. Lett.
, 2015, 6
, 3749-3753
DOI: 10.1021/acs.jpclett.5b01683

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):