Publications

Fast filter by year:

More filters

Results: 1331

Gabriel Merino, Miquel Solà
Celebrating the 150th anniversary of the Kekulé benzene structure
Phys. Chem. Chem. Phys., 2016, 18, 11587-11588
DOI: 10.1039/c6cp90088g

Ouissam El Bakouri, Miquel Duran, Jordi Poater, Ferran Feixas, Miquel Solà
Octahedral aromaticity in2S+1 A1g X6 q clusters (X = Li–C and Be–Si, S = 0–3, and q = −2 to +4)
Phys. Chem. Chem. Phys., 2016, 18, 11700-11706
DOI: 10.1039/c5cp07011b

David Zanuy, Jordi Poater, Miquel Solà, Ian W. Hamley, Carlos Alemán
Fmoc–RGDS based fibrils: atomistic details of their hierarchical assembly
Phys. Chem. Chem. Phys., 2016, 18, 1265-1278
DOI: 10.1039/c5cp04269k

Mohit Chawla, Albert Poater, Romina Oliva, Luigi Cavallo
Structural and energetic characterization of the emissive RNA alphabet based on the isothiazolo[4,3-d]pyrimidine heterocycle core
Phys. Chem. Chem. Phys., 2016, 18, 18045-18053
DOI: 10.1039/C6CP03268K

Ouissam El Bakouri, Miquel Solà, Jordi Poater
Planar vs. three-dimensional X6 2− , X2 Y4 2− , and X3 Y3 2− (X, Y = B, Al, Ga) metal clusters: an analysis of their relative energies through the tu
Phys. Chem. Chem. Phys., 2016, 18, 21102-21110
DOI: 10.1039/c6cp01109h

Robert Zaleśny, Marc Garcia-Borràs, Robert W. Góra, Miroslav Medveď, Josep M. Luis
On the physical origins of interaction-induced vibrational (hyper)polarizabilities
Phys. Chem. Chem. Phys. , 2016, 18, 22467-22477
DOI: 10.1039/C6CP02500E

Eloy Ramos-Cordoba, Pedro Salvador, Eduard Matito
Separation of dynamic and nondynamic correlation
Phys. Chem. Chem. Phys., 2016, 18, 24015-24023
DOI: 10.1039/C6CP03072F
OpenAccess: –
Keywords: Ab initio theory, Chemical bonding, Electron delocalization, Method development

Huijing Li, Annapaola Migani, Lluís Blancafort, Quansong Li, Zesheng Li
Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold in C–N bound and pre-dissociated intersection seam regions
Phys. Chem. Chem. Phys., 2016, 18, 30785-30793
DOI: 10.1039/c6cp06290c

Daniel Cassú, Ouissam El Bakouri, Miquel Solà, Anna Pla-Quintana, Anna Roglans
New synthetic route to N-arylated pyridazinones from aryldiazonium salts
Revista de la Societat Catalana de Química, 2016, 15, 92-99
DOI: 10.2436/20.2003.01.80

Lei Liu, Diego Moreno, Edison Osorio, Abril C. Castro, Sudip Pan, Pratim K. Chattaraj, Thomas Heine, Gabriel Merino
Structure and bonding of IrB12 – : converting a rigid boron B12 platelet to a Wankel motor
RSC Adv., 2016, 6, 27177-27182
DOI: 10.1039/C6RA02992B

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


  

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):