Publications

Fast filter by year:

More filters

Results: 777

G. Theodoor De Jong, Daan P. Geerke, Axel Diefenbach, Miquel Solà, F. Matthias Bickelhaupt
Oxidative addition of the ethane CC bond to Pd. An ab initio benchmark and DFT validation study
J. Comput. Chem., 2005, 26, 1006-1020
DOI: 10.1002/jcc.20233

A. Patrícia Bento, Miquel Solà, F. Matthias Bickelhaupt
Ab initio and DFT benchmark study for nucleophilic substitution at carbon (SN2@C) and silicon (SN2@Si)
J. Comput. Chem., 2005, 26, 1497-1504
DOI: 10.1002/jcc.20261

Anna Torrent, Iván González, Anna Pla-Quintana, Anna Roglans, Marcial Moreno-Mañas, Teodor Parella, Jordi Benet-Buchholz
Transition Metal-Mediated Intramolecular [2+2+2] Cycloisomerizations of Cyclic Triynes and Enediynes
J. Org. Chem., 2005, 70, 2033-2041
DOI: 10.1021/jo048056p

Guillem Portella, Jordi Poater, Josep M. Bofill, Pere Alemany, Miquel Solà
Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9)
J. Org. Chem., 2005, 70, 2509-2521
DOI: 10.1021/jo0480388

Guillem Portella, Jordi Poater, Josep M. Bofill, Pere Alemany, Miquel Solà
Local Aromaticity of [n]Acenes, [n]Phenacenes, and [n]Helicenes (n = 1−9).
J. Org. Chem., 2005, 70, 4560-4560
DOI: 10.1021/jo0560254

Beatriz M. Illescas, Nazario Martín, Jordi Poater, Miquel Solà, Gemma P. Aguado, Rosa M. Ortuño
Diastereoselective Synthesis of Fulleropyrrolidines from Suitably Functionalized Chiral Cyclobutanes
J. Org. Chem., 2005, 70, 6929-6932
DOI: 10.1021/jo0509197

Jordi Poater, Josep M. Bofill, Pere Alemany, Miquel Solà
Local Aromaticity of the Lowest-Lying Singlet States of [n]Acenes (n = 6−9)
J. Phys. Chem. A, 2005, 109, 10629-10632
DOI: 10.1021/jp055188t

Miquel Torrent-Sucarrat, Miquel Duran, Josep M. Luis, Miquel Solà
Generalizing the Breakdown of the Maximum Hardness and Minimum Polarizabilities Principles for Nontotally Symmetric Vibrations to Non–Conjugated Organic Molecules
J. Phys. Chem. A, 2005, 109, 615-621
DOI: 10.1021/jp0470804

Eduard Matito, Jordi Poater, Miquel Solà, Miquel Duran, Pedro Salvador
Comparison of the AIM Delocalization Index and the Mayer and Fuzzy Atom Bond Orders
J. Phys. Chem. A, 2005, 109, 9904-9910
DOI: 10.1021/jp0538464

Alexander A. Voityuk
Are Radical Cation States Delocalized over GG and GGG Hole Traps in DNA?
J. Phys. Chem. B, 2005, 109, 10793-10796
DOI: 10.1021/jp050985c

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


  

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):