-
Stabilization of cyclo-N<inf>6</inf> by insertion into [18]-annulene: a DFT study
Peer-reviewed
Fabio Pichierri
Structural Chemistry 35 (6) 2055-2064 2024/12
DOI：
10.1007/s11224-024-02394-2
ISSN：
1040-0400
eISSN：
1572-9001
-
Isomers and neutral precursors of the cyclopentenium ion, cyclo-C<inf>5</inf>H<inf>7</inf>+: structural diversity, vibrational spectra, and charge distribution
Peer-reviewed
Fabio Pichierri
Structural Chemistry 34 (6) 2237-2247 2023/12
DOI：
10.1007/s11224-023-02235-8
ISSN：
1040-0400
eISSN：
1572-9001
-
Chemical Stabilization of [4]Cycloparaphenylene via Encapsulation of Alkaline-earth Metals
Peer-reviewed
Fabio Pichierri
Chemistry Letters 52 (3) 181-184 2023/03
DOI：
10.1246/cl.220524
ISSN：
0366-7022
eISSN：
1348-0715
-
Tri-tert-butyl methane and its halogen analogues: a computational study of intramolecular interactions in a family of sterically crowded molecules
Peer-reviewed
Fabio Pichierri
Structural Chemistry 34 (1) 251-263 2023/02
DOI：
10.1007/s11224-022-02102-y
ISSN：
1040-0400
eISSN：
1572-9001
-
Theoretical insights into the nature of the bonding between carbon monoxide and iron(II) phthalocyanine: How do QTAIM descriptors change as a function of the Fe–CO distance?
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 804 2022/10
DOI：
10.1016/j.cplett.2022.139901
ISSN：
0009-2614
-
Comment on “Revealing the new structure of B<inf>8</inf>N<inf>8</inf> nanocage and comparison of hydrogen storage capacity” [Chem. Phys. 559 (2022) 111540]
Peer-reviewed
Fabio Pichierri
Chemical Physics 562 2022/10/01
DOI：
10.1016/j.chemphys.2022.111673
ISSN：
0301-0104
-
Auride ion interaction with borane: A theoretical study of AuBH3-
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 788 2022/02
DOI：
10.1016/j.cplett.2021.139288
ISSN：
0009-2614
eISSN：
1873-4448
-
IYPt is a highly polar, nonlinear triatomic molecule
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 746 2020/05
DOI：
10.1016/j.cplett.2020.137307
ISSN：
0009-2614
eISSN：
1873-4448
-
Boron-nitrogen analogues of cyclo[18]carbon
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 738 136860 2020/01
DOI：
10.1016/j.cplett.2019.136860
ISSN：
0009-2614
eISSN：
1873-4448
-
Corrigendum to “Boron-nitrogen analogues of cyclo[18]carbon” [Chem. Phys. Lett. 738 (2020) 136860]
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 738 136909 2020/01
DOI：
10.1016/j.cplett.2019.136909
ISSN：
0009-2614
eISSN：
1873-4448
-
Adamantane template effect on the self-assembly of a molecular tetrahedron: A theoretical analysis
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 713 149-152 2018/12
DOI：
10.1016/j.cplett.2018.10.032
ISSN：
0009-2614
eISSN：
1873-4448
-
Cs+-pi interactions and the design of macrocycles for the capture of environmental radiocesium (Cs-137): DFT, QTAIM, and CSD studies
Peer-reviewed
Fabio Pichierri
THEORETICAL CHEMISTRY ACCOUNTS 137 (8) 2018/08
DOI：
10.1007/s00214-018-2298-9
ISSN：
1432-881X
eISSN：
1432-2234
-
Halide and hydroxide anion binding in water
Peer-reviewed
M. Savastano, C. Bazzicalupi, C. García-Gallarín, C. Giorgi, M. D. López De La Torre, F. Pichierri, A. Bianchi, M. Melguizo
Dalton Transactions 47 (10) 3329-3338 2018
DOI：
10.1039/c7dt04430e
ISSN：
1477-9226
eISSN：
1477-9234
-
Theoretical studies as a tool for understanding the aromatic character of porphyrinoid compounds
Peer-reviewed
Heike Fliegl, Rashid Valiev, Fabio Pichierri, Dage Sundholm
Spectroscopic Properties of Inorganic and Organometallic Compounds 14 1-42 2018
DOI：
10.1039/9781788010719-00001
ISSN：
0584-8555
eISSN：
1465-1939
-
Interplay between salt bridge, hydrogen bond and anion-pi interactions in thiocyanate binding
Peer-reviewed
Matteo Savastano, Celeste Garcia, Maria Dolores Lopez de la Torre, Fabio Pichierri, Carla Bazzicalupi, Antonio Bianchi, Manuel Melguizo
INORGANICA CHIMICA ACTA 470 133-138 2018/01
DOI：
10.1016/j.ica.2017.04.029
ISSN：
0020-1693
eISSN：
1873-3255
-
Theoretical study of the interaction between carbon-carbon triple bonds in cyclic diynes: a combined DFT and QTAIM approach
Peer-reviewed
Fabio Pichierri
STRUCTURAL CHEMISTRY 28 (5) 1479-1485 2017/10
DOI：
10.1007/s11224-017-0985-0
ISSN：
1040-0400
eISSN：
1572-9001
-
UV absorption of n-alkyl 1-thio-beta-D-glucopyranosides and its utilization in chromatographic separation
Peer-reviewed
Hiroshi Itoh, Fabio Pichierri, Atsushi Kobayashi
TETRAHEDRON LETTERS 58 (37) 3678-3680 2017/09
DOI：
10.1016/j.tetlet.2017.08.022
ISSN：
0040-4039
eISSN：
1873-3581
-
Substituent effects in cubane and hypercubane: a DFT and QTAIM study
Peer-reviewed
Fabio Pichierri
THEORETICAL CHEMISTRY ACCOUNTS 136 (9) 2017/09
DOI：
10.1007/s00214-017-2144-5
ISSN：
1432-881X
eISSN：
1432-2234
-
Does Synergism in Microscopic Polarity Correlate with Extrema in Macroscopic Properties for Aqueous Mixtures of Dipolar Aprotic Solvents?
Peer-reviewed
Alif Duereh, Yoshiyuki Sato, Richard Lee Smith, Hiroshi Inomata, Fabio Pichierri
JOURNAL OF PHYSICAL CHEMISTRY B 121 (24) 6033-6041 2017/06
DOI：
10.1021/acs.jpcb.7b03446
ISSN：
1520-6106
eISSN：
1520-5207
-
Iodide and triiodide anion complexes involving anion-pi interactions with a tetrazine-based receptor
Peer-reviewed
Matteo Savastano, Carla Bazzicalupi, Celeste Garcia, Cristina Gellini, Maria Dolores Lopez de la Torre, Palma Mariani, Fabio Pichierri, Antonio Bianchi, Manuel Melguizo
DALTON TRANSACTIONS 46 (14) 4518-4529 2017/04
DOI：
10.1039/c7dt00134g
ISSN：
1477-9226
eISSN：
1477-9234
-
Macrocycles for the complexation of radiocesium: a concise review of crystallographic and computational studies
Peer-reviewed
Fabio Pichierri
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY 311 (2) 1251-1263 2017/02
DOI：
10.1007/s10967-016-4968-1
ISSN：
0236-5731
eISSN：
1588-2780
-
Molecular triskelions: structure and bonding in the perhalogenated analogues of boric acid, X3BO3 (X=F, Cl, Br, I)
Peer-reviewed
Fabio Pichierri
STRUCTURAL CHEMISTRY 28 (1) 213-223 2017/02
DOI：
10.1007/s11224-016-0835-5
ISSN：
1040-0400
eISSN：
1572-9001
-
Theoretical study of piezoelectrochemical reactions in molecular compression chambers: In-situ generation of molecular hydrogen
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 661 125-130 2016/09
DOI：
10.1016/j.cplett.2016.08.071
ISSN：
0009-2614
eISSN：
1873-4448
-
Anion Complexes with Tetrazine-Based Ligands: Formation of Strong Anion-pi Interactions in Solution and in the Solid State
Peer-reviewed
Matteo Savastano, Carla Bazzicalupi, Claudia Giorgi, Celeste Garcia-Gallarin, Maria Dolores Lopez de la Torre, Fabio Pichierri, Antonio Bianchi, Manuel Melguizo
INORGANIC CHEMISTRY 55 (16) 8013-8024 2016/08
DOI：
10.1021/acs.inorgchem.6b01138
ISSN：
0020-1669
eISSN：
1520-510X
-
Molecular structures of two tetrodotoxin analogs containing a monooxa-hydrocarbon cage: A computational study
Peer-reviewed
Fabio Pichierri
JOURNAL OF MOLECULAR STRUCTURE 1106 407-415 2016/02
DOI：
10.1016/j.molstruc.2015.11.006
ISSN：
0022-2860
eISSN：
1872-8014
-
Computational design of cucurbituril-acene hybrids for the optical detection of cesium ions: DFT and TD-DFT studies
Peer-reviewed
Fabio Pichierri
THEORETICAL CHEMISTRY ACCOUNTS 135 (3) 1-11 2016/02
DOI：
10.1007/s00214-016-1824-x
ISSN：
1432-881X
eISSN：
1432-2234
-
Computational Design of Soft Materials for the Capture of Cs-137 in Contaminated Environments: from 2D Covalent Cucurbituril Networks to 3D Supramolecular Materials
Invited
Peer-reviewed
Fabio Pichierri
FRONTIERS IN MATERIALS SCIENCE (FMS2015) 1763 2016
DOI：
10.1063/1.4961350
ISSN：
0094-243X
eISSN：
1551-7616
-
Quantum Chemical Study of the 1:1 Complex between Ferrocene and Zinc Porphyrin, a Building-Block of Charge-Transfer Molecular Materials
Invited
Peer-reviewed
Fabio Pichierri, Akiko Sekine, Tomoyuki Yamamoto
MATERIALS TRANSACTIONS 56 (9) 1425-1427 2015/09
DOI：
10.2320/matertrans.MA201561
ISSN：
1345-9678
eISSN：
1347-5320
-
Antiaromatic Character of 16 pi Electron Octaethylporphyrins: Magnetically Induced Ring Currents from DFT-GIMIC Calculations
Peer-reviewed
Heike Fliegl, Fabio Pichierri, Dage Sundholm
JOURNAL OF PHYSICAL CHEMISTRY A 119 (11) 2344-2350 2015/03
DOI：
10.1021/jp5067549
ISSN：
1089-5639
eISSN：
1520-5215
-
Molecular structure and conformations of caramboxin, a natural neurotoxin from the star fruit: A computational study
Peer-reviewed
Fabio Pichierri
JOURNAL OF MOLECULAR STRUCTURE 1079 274-280 2015/01
DOI：
10.1016/j.molstruc.2014.09.018
ISSN：
0022-2860
eISSN：
1872-8014
-
Hypercubane: DFT-based prediction of an O-h-symmetric double-shell hydrocarbon
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 612 198-202 2014/09
DOI：
10.1016/j.cplett.2014.08.032
ISSN：
0009-2614
eISSN：
1873-4448
-
Molecular analogs of the hemihelix: A computational study of chain molecules containing left- and right-handed helices
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 610-611 56-61 2014/08/28
DOI：
10.1016/j.cplett.2014.07.005
ISSN：
0009-2614
-
FICA, a new chiral derivatizing agent for determining the absolute configuration of secondary alcohols by F-19 and H-1 NMR spectroscopies
Peer-reviewed
Tamiko Takahashi, Hiroaki Kameda, Tomoyo Kamei, Jyunichi Koyanagi, Fabio Pichierri, Kenji Omata, Miyuki Ishizaki, Hiroshi Nakamura
TETRAHEDRON-ASYMMETRY 24 (17) 1001-1009 2013/09
DOI：
10.1016/j.tetasy.2013.06.012
ISSN：
0957-4166
eISSN：
1362-511X
-
Aromatic pathways in thieno-bridged porphyrins: understanding the influence of the direction of the thiophene ring on the aromatic character
Peer-reviewed
Heike Fliegl, Nergiz Ozcan, Raul Mera-Adasme, Fabio Pichierri, Jonas Juselius, Dage Sundholm
MOLECULAR PHYSICS 111 (9-11) 1364-1372 2013/07
DOI：
10.1080/00268976.2013.794397
ISSN：
0026-8976
eISSN：
1362-3028
-
Theoretical insights into the structure of the eta(5)-(Cp*)C+ cation
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 568 106-111 2013/05
DOI：
10.1016/j.cplett.2013.03.008
ISSN：
0009-2614
-
DFT study of caesium ion complexation by cucurbit[n]urils (n=5-7)
Peer-reviewed
Fabio Pichierri
DALTON TRANSACTIONS 42 (17) 6083-6091 2013
DOI：
10.1039/c2dt32180g
ISSN：
1477-9226
eISSN：
1477-9234
-
Mechanism of diffusion slowdown in confined liquids
Peer-reviewed
Hiroki Matsubara, Fabio Pichierri, Kazue Kurihara
Physical Review Letters 109 (19) 2012/11/07
DOI：
10.1103/PhysRevLett.109.197801
ISSN：
0031-9007
eISSN：
1079-7114
-
Effect of Fluorine Substitution on the Aromaticity of Polycyclic Hydrocarbons
Peer-reviewed
Mikko Kaipio, Michael Patzschke, Heike Fliegl, Fabio Pichierri, Dage Sundholm
JOURNAL OF PHYSICAL CHEMISTRY A 116 (41) 10257-10268 2012/10
DOI：
10.1021/jp308121b
ISSN：
1089-5639
eISSN：
1520-5215
-
Oxidation of nitroxyl radicals: electrochemical and computational studies
Peer-reviewed
Masatoshi Shibuya, Fabio Pichierri, Masaki Tomizawa, Shota Nagasawa, Iwao Suzuki, Yoshiharu Iwabuchi
TETRAHEDRON LETTERS 53 (16) 2070-2073 2012/04
DOI：
10.1016/j.tetlet.2012.02.033
ISSN：
0040-4039
eISSN：
1873-3581
-
Binding of molecular hydrogen to halide anions: A computational exploration of eco-friendly materials for hydrogen storage
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 519-20 83-88 2012/01
DOI：
10.1016/j.cplett.2011.11.038
ISSN：
0009-2614
-
High-pressure phases of hydrogen cyanide: Formation of hydrogenated carbon nitride polymers and layers and their electronic properties
Peer-reviewed
Mohammad Khazaei, Yunye Liang, Mohammad Saeed Bahramy, Fabio Pichierri, Keivan Esfarjani, Yoshiyuki Kawazoe
Journal of Physics Condensed Matter 23 (40) 2011/10/12
DOI：
10.1088/0953-8984/23/40/405403
ISSN：
0953-8984
eISSN：
1361-648X
-
Structure and bonding in polybromide anions Br-(Br-2)(n) (n=1-6)
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 515 (1-3) 116-121 2011/10
DOI：
10.1016/j.cplett.2011.09.003
ISSN：
0009-2614
eISSN：
1873-4448
-
Theoretical study of [n]ivyanes, n=2-8
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 511 (4-6) 277-282 2011/08
DOI：
10.1016/j.cplett.2011.06.024
ISSN：
0009-2614
eISSN：
1873-4448
-
A quantum mechanical analysis of the light-harvesting complex 2 (LH2) from purple photosynthetic bacteria: Insights into the electrostatic effects of transmembrane helices
Peer-reviewed
Fabio Pichierri
BIOSYSTEMS 103 (2) 132-137 2011/02
DOI：
10.1016/j.biosystems.2010.08.006
ISSN：
0303-2647
-
The electronic structure and dipole moment of charybdotoxin, a scorpion venom peptide with K+ channel blocking activity
Peer-reviewed
Fabio Pichierri
COMPUTATIONAL AND THEORETICAL CHEMISTRY 963 (2-3) 384-393 2011/02
DOI：
10.1016/j.comptc.2010.11.003
ISSN：
2210-271X
eISSN：
1872-7999
-
Kinetics of Conformational Sampling in Ubiquitin
Peer-reviewed
David Ban, Michael Funk, Rudolf Gulich, Dalia Egger, T. Michael Sabo, Korvin F. A. Walter, R. Bryn Fenwick, Karin Giller, Fabio Pichierri, Bert L. de Groot, Oliver F. Lange, Helmut Grubmueller, Xavier Salvatella, Martin Wolf, Alois Loidl, Reiner Kree, Stefan Becker, Nils-Alexander Lakomek, Donghan Lee, Peter Lunkenheimer, Christian Griesinger
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 50 (48) 11437-11440 2011
DOI：
10.1002/anie.201105086
ISSN：
1433-7851
eISSN：
1521-3773
-
Aromatic pathways in mono- and bisphosphorous singly Mobius twisted [28] and [30]hexaphyrins
Peer-reviewed
Heike Fliegl, Dage Sundholm, Fabio Pichierri
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 13 (46) 20659-20665 2011
DOI：
10.1039/c1cp21935a
ISSN：
1463-9076
eISSN：
1463-9084
-
A neutral Pt-3 stack unsupported by any bridging ligand
Peer-reviewed
Lars Holland, Wei-Zheng Shen, Philipp von Grebe, Pablo J. Sanz Miguel, Fabio Pichierri, Andreas Springer, Christoph A. Schalley, Bernhard Lippert
DALTON TRANSACTIONS 40 (19) 5159-5161 2011
DOI：
10.1039/c0dt01408g
ISSN：
1477-9226
eISSN：
1477-9234
-
Unraveling the properties of octamethylcyclotetrasiloxane under nanoscale confinement: Atomistic view of the liquidlike state from molecular dynamics simulation
Peer-reviewed
Hiroki Matsubara, Fabio Pichierri, Kazue Kurihara
JOURNAL OF CHEMICAL PHYSICS 134 (4) 2011/01
DOI：
10.1063/1.3530591
ISSN：
0021-9606
eISSN：
1089-7690
-
Conformational Control of Benzyl-o-carboranylbenzene Derivatives and Molecular Encapsulation of Acetone in the Dynamically Formed Space of 1,3,5-Tris(2-benzyl-o-carboran-1-yl)benzene
Peer-reviewed
Chalermkiat Songkram, Kiminori Ohta, Kentaro Yamaguchi, Fabio Pichierri, Yasuyuki Endo
INORGANIC CHEMISTRY 49 (23) 11174-11183 2010/12
DOI：
10.1021/ic101862n
ISSN：
0020-1669
eISSN：
1520-510X
-
Magnetically Induced Currents in [n]Cycloparaphenylenes, n=6-11
Peer-reviewed
Stefan Taubert, Dage Sundholm, Fabio Pichierri
JOURNAL OF ORGANIC CHEMISTRY 75 (17) 5867-5874 2010/09
DOI：
10.1021/jo100902w
ISSN：
0022-3263
eISSN：
1520-6904
-
Aromatic Pathways in Twisted Hexaphyrins
Peer-reviewed
Heike Fliegl, Dage Sundholm, Stefan Taubert, Fabio Pichierri
JOURNAL OF PHYSICAL CHEMISTRY A 114 (26) 7153-7161 2010/07
DOI：
10.1021/jp1021517
ISSN：
1089-5639
eISSN：
1520-5215
-
Macrodipoles of potassium and chloride ion channels as revealed by electronic structure calculations
Peer-reviewed
Fabio Pichierri
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 950 (1-3) 79-82 2010/06
DOI：
10.1016/j.theochem.2010.03.027
ISSN：
0166-1280
-
Design of a Versatile Force Field for the Large-Scale Molecular Simulation of Solid and Liquid OMCTS
Peer-reviewed
Hiroki Matsubara, Fabio Pichierri, Kazue Kurihara
JOURNAL OF CHEMICAL THEORY AND COMPUTATION 6 (4) 1334-1340 2010/04
DOI：
10.1021/ct9006053
ISSN：
1549-9618
eISSN：
1549-9626
-
Theoretical characterization of the sulfilimine bond: Double or single?
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 487 (4-6) 315-319 2010/03
DOI：
10.1016/j.cplett.2010.01.060
ISSN：
0009-2614
eISSN：
1873-4448
-
Calculation of absorption and emission spectra of [n]cycloparaphenylenes: the reason for the large Stokes shift
Peer-reviewed
Dage Sundholm, Stefan Taubert, Fabio Pichierri
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 12 (11) 2751-2757 2010
DOI：
10.1039/b922175a
ISSN：
1463-9076
eISSN：
1463-9084
-
Magnetically Induced Currents in Bianthraquinodimethane-Stabilized Mobius and Huckel [16]Annulenes
Peer-reviewed
Stefan Taubert, Dage Sundholm, Fabio Pichierri
JOURNAL OF ORGANIC CHEMISTRY 74 (17) 6495-6502 2009/09
DOI：
10.1021/jo900736d
ISSN：
0022-3263
eISSN：
1520-6904
-
Geometries and electronic structures of phosphorous-doped silicon fullerenes: A DFT study
Peer-reviewed
Fabio Pichierri, Vijay Kumar
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 900 (1-3) 71-76 2009/04
DOI：
10.1016/j.theochem.2008.12.029
ISSN：
0166-1280
-
Probing the Molecular and Electronic Structure of Norhipposudoric and Hipposudoric Acids from the Red Sweat of Hippopotamus amphibius: A DFT Investigation
Peer-reviewed
Vinicio Galasso, Fabio Pichierri
JOURNAL OF PHYSICAL CHEMISTRY A 113 (11) 2534-2543 2009/03
DOI：
10.1021/jp809138s
ISSN：
1089-5639
eISSN：
1520-5215
-
Effect of fluorine substitution in calix[4]pyrrole: A DFT study
Peer-reviewed
Fabio Pichierri
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 870 (1-3) 36-42 2008/12
DOI：
10.1016/j.theochem.2008.08.032
ISSN：
0166-1280
-
Geometries and Electronic Structures of Alkaline Earth Auride Clusters, Au_4M (M = Mg, Ca, Sr, Ba)
Peer-reviewed
PICHIERRI Fabio
Materials Transactions 49 (11) 2437-2440 2008/11/01
DOI：
10.2320/matertrans.MB200803
ISSN：
1345-9678
eISSN：
1347-5320
-
Molecular structure of the octatetranyl anion, C8H-: A computational study
Peer-reviewed
Fabio Pichierri
JOURNAL OF PHYSICAL CHEMISTRY A 112 (33) 7717-7722 2008/08
DOI：
10.1021/jp710297g
ISSN：
1089-5639
eISSN：
1520-5215
-
Elucidation of the heme binding site of heme-regulated eukaryotic initiation factor 2α kinase and the role of the regulatory motif in heme sensing by spectroscopic and catalytic studies of mutant proteins
Peer-reviewed
Jotaro Igarashi, Motohiko Murase, Aya Iizuka, Fabio Pichierri, Marketa Martinkova, Toru Shimizu
Journal of Biological Chemistry 283 (27) 18782-18791 2008/07/04
DOI：
10.1074/jbc.M801400200
ISSN：
0021-9258
eISSN：
1083-351X
-
Probing the molecular and electronic structure of capsaicin: A spectroscopic and quantum mechanical study
Peer-reviewed
A. Alberti, V. Galasso, B. Kovač, A. Modelli, F. Pichierri
Journal of Physical Chemistry A 112 (25) 5700-5711 2008/06/26
DOI：
10.1021/jp801890g
ISSN：
1089-5639
-
Designing nanogadgets by interconnecting carbon nanotubes with zinc layers
Peer-reviewed
Mohammad Khazaei, Sang Uck Lee, Fabio Pichierri, Yoshiyuki Kawazoe
ACS NANO 2 (5) 939-943 2008/05
DOI：
10.1021/nn7004377
ISSN：
1936-0851
eISSN：
1936-086X
-
Spectroscopic and theoretical study of the electronic structure of curcumin and related fragment molecules
Peer-reviewed
V. Galasso, B. Kovač, A. Modelli, M. F. Ottaviani, F. Pichierri
Journal of Physical Chemistry A 112 (11) 2331-2338 2008/03/20
DOI：
10.1021/jp7108303
ISSN：
1089-5639
-
Coupled cluster study of the phenyl-acetylide anion
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 454 (4-6) 404-408 2008/03
DOI：
10.1016/j.cplett.2008.02.033
ISSN：
0009-2614
eISSN：
1873-4448
-
Electron transport through carbon nanotube intramolecular heterojunctions with peptide linkages
Peer-reviewed
Sang Uck Lee, Mohammad Khazaei, Fabio Pichierri, Yoshiyuki Kawazoe
PHYSICAL CHEMISTRY CHEMICAL PHYSICS 10 (34) 5225-5231 2008
DOI：
10.1039/b802776e
ISSN：
1463-9076
eISSN：
1463-9084
-
Solid-state supramolecular array through cooperative pi-pi interactions of 1-(2-methoxyphenyl)-o-carborane
Peer-reviewed
Kiminori Ohta, Hiroto Yamazaki, Fabio Pichierri, Masatoshi Kawahata, Kentaro Yamaguchi, Yasuyuki Endo
TETRAHEDRON 63 (49) 12160-12165 2007/12
DOI：
10.1016/j.tet.2007.09.063
ISSN：
0040-4020
-
Theoretical design of an aromatic hydrocarbon rotor driven by a circularly polarized electric field
Peer-reviewed
Masahiro Yamaki, Kunihito Hoki, Takato Teranishi, Wilfredo Credo Chung, Fabio Pichierri, Hirohiko Kono, Yuichi Fujimura
JOURNAL OF PHYSICAL CHEMISTRY A 111 (38) 9374-9378 2007/09
DOI：
10.1021/jp073953t
ISSN：
1089-5639
eISSN：
1520-5215
-
Computational design of a rectifying diode made by interconnecting carbon nanotubes with peptide linkages
Peer-reviewed
Mohammad Khazaei, Sang Uck Lee, Fabio Pichierri, Yoshiyuki Kawazoe
JOURNAL OF PHYSICAL CHEMISTRY C 111 (33) 12175-12180 2007/08
DOI：
10.1021/jp0689767
ISSN：
1932-7447
eISSN：
1932-7455
-
DFT study of conformational and spectroscopic properties of yatakemycin
Peer-reviewed
Fabio Pichierri, Vinicio Galasso
JOURNAL OF PHYSICAL CHEMISTRY A 111 (26) 5898-5906 2007/07
DOI：
10.1021/jp071851x
ISSN：
1089-5639
-
Proton-driven conformational change in a 2-aryl-p-carborane constrained by an intramolecular C-H center dot center dot center dot O hydrogen bond
Peer-reviewed
Kiminori Ohta, Hiroto Yamazaki, Masatoshi Kawahata, Kentaro Yamaguchi, Fabio Pichierri, Yasuyuki Endo
TETRAHEDRON LETTERS 48 (30) 5231-5234 2007/07
DOI：
10.1016/j.tetlet.2007.05.135
ISSN：
0040-4039
-
Quantum-Chemical Design of Covalent Linkages for Interconnecting Carbon Nanotubes
Peer-reviewed
Fabio Pichierri, Mohammad Khazaei, Yoshiyuki Kawazoe
Materials Transactions 48 (8) 2148-2151 2007/07
DOI：
10.2320/matertrans.N-MRA2007861
ISSN：
1345-9678
eISSN：
1347-5320
-
Facile and efficient synthesis of C-hydroxycarboranes and C,C '-dihydroxycarboranes
Peer-reviewed
Kiminori Ohta, Tokuhito Goto, Hiroto Yamazaki, Fabio Pichierri, Yasuyuki Endo
INORGANIC CHEMISTRY 46 (10) 3966-3970 2007/05
DOI：
10.1021/ic062025q
ISSN：
0020-1669
eISSN：
1520-510X
-
Coherent signal amplification in rhodopsin media
M. V. Altaisky, V. N. Gorbachev, Fabio Pichierri
Physics of Particles and Nuclei Letters 4 (2) 150-153 2007/03
DOI：
10.1134/S1547477107020124
ISSN：
1547-4771
-
Mechanism and chemoselectivity of the Pd(II)-catalyzed allylation of aldehydes: A density functional theory study
Peer-reviewed
Fabio Pichierri, Yoshinori Yamamoto
JOURNAL OF ORGANIC CHEMISTRY 72 (3) 861-869 2007/02
DOI：
10.1021/jo061985r
ISSN：
0022-3263
eISSN：
1520-6904
-
Polyhedral heteroborane clusters for nanotechnology
Fabio Pichierri
MOLECULAR BUILDING BLOCKS FOR NANOTECHNOLOGY: FROM DIAMONDOIDS TO NANOSCALE MATERIALS AND APPLICATIONS 109 256-274 2007
DOI：
10.1007/978-0-387-39938-6_12
ISSN：
0303-4216
eISSN：
1437-0859
-
Signal-transducing proteins for nanoelectronics
Fabio Pichierri
Annals of the New York Academy of Sciences 1093 98-107 2006/12
DOI：
10.1196/annals.1382.007
ISSN：
0077-8923
eISSN：
1749-6632
-
On the molecular and electronic structure of matrine-type alkaloids
Peer-reviewed
V. Galasso, F. Asaro, F. Berti, B. Pergolese, B. Kovač, F. Pichierri
Chemical Physics 330 (3) 457-468 2006/11/21
DOI：
10.1016/j.chemphys.2006.09.017
ISSN：
0301-0104
-
Theoretical study of subporphyrins
Peer-reviewed
Fabio Pichierri
CHEMICAL PHYSICS LETTERS 426 (4-6) 410-414 2006/08
DOI：
10.1016/j.cplett.2006.06.010
ISSN：
0009-2614
eISSN：
1873-4448
-
Affinity of ferrocene and (1,1 ')(3,3 ')[3,3]ferrocenophane to cations
Peer-reviewed
Antonio Frontera, David Quinonero, Carolina Garau, Pere M. Deya, Fabio Pichierri
CHEMICAL PHYSICS LETTERS 424 (1-3) 204-208 2006/06
DOI：
10.1016/j.cplett.2006.04.027
ISSN：
0009-2614
eISSN：
1873-4448
-
DFT study of cucurbit[n]uril, n=5-10
Peer-reviewed
Fabio Pichierri
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 765 (1-3) 151-152 2006/06
DOI：
10.1016/j.theochem.2006.03.039
ISSN：
0166-1280
-
Theoretical study of sila-adamantane
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 421 (4-6) 319-323 2006/04
DOI：
10.1016/j.cplett.2006.01.091
ISSN：
0009-2614
-
The electronic structure of human erythropoietin as an aid in the design of oxidation-resistant therapeutic proteins
Peer-reviewed
Fabio Pichierri
Bioorganic and Medicinal Chemistry Letters 16 (3) 587-591 2006/02/01
DOI：
10.1016/j.bmcl.2005.10.041
ISSN：
0960-894X
-
A theoretical ab initio study of [n.n]paracyclophane complexes with cations
Peer-reviewed
Antonio Frontera, David Quiñonero, Carolina Garau, Pablo Ballester, Antoni Costa, Pere M. Deyà, Fabio Pichierri
Chemical Physics Letters 417 (4-6) 371-377 2006/01/10
DOI：
10.1016/j.cplett.2005.10.038
ISSN：
0009-2614
-
Computer-aided design of nanostructured materials containing trisaza-bridged [60]fullerene
Peer-reviewed
Fabio Pichierri
Physica E: Low-Dimensional Systems and Nanostructures 29 (3-4) 689-692 2005/11
DOI：
10.1016/j.physe.2005.06.055
ISSN：
1386-9477
-
Insights into the interplay between electronic structure and protein dynamics: The case of ubiquitin
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 410 (4-6) 462-466 2005/07/20
DOI：
10.1016/j.cplett.2005.05.119
ISSN：
0009-2614
-
Counterintuitive affinity of [2.2]paracyclophane to cations
Peer-reviewed
David Quiñonero, Antonio Frontera, Carolina Garau, Pau Ballester, Antoni Costa, Pere M. Deyà, Fabio Pichierri
Chemical Physics Letters 408 (1-3) 59-64 2005/06/07
DOI：
10.1016/j.cplett.2005.03.150
ISSN：
0009-2614
-
Encapsulation of halide anions in perhydrogenated silicon fullerene: X -@Si<inf>20</inf>H<inf>20</inf> (X = F, Cl, Br, I)
Peer-reviewed
Fabio Pichierri, Vijay Kumar, Yoshiyuki Kawazoe
Chemical Physics Letters 406 (4-6) 341-344 2005/05/02
DOI：
10.1016/j.cplett.2005.02.121
ISSN：
0009-2614
-
Nanosoldering of thia-cucurbituril macrocycles with transition metals affords novel tubular nanostructures: A computational study
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 403 (4-6) 252-256 2005/02/25
DOI：
10.1016/j.cplett.2005.01.020
ISSN：
0009-2614
-
Assembly of positively charged porphyrins driven by metal ions: A novel polymeric arrangement of cationic metalloporphyrin
Peer-reviewed
Silvano Geremia, Luigi Di Costanzo, Giorgio Nardin, Lucio Randaccio, Roberto Purrello, Domenico Sciotto, Rosaria Lauceri, Fabio Pichierri
Inorganic Chemistry 43 (24) 7579-7581 2004/11/29
DOI：
10.1021/ic049336q
ISSN：
0020-1669
-
Substitution effects on the frontier orbitals of 3,4,9,10-perylene bis(dicarboximide). A computational quantum chemistry study with insights into the electronic properties of organic semiconductors
Peer-reviewed
Fabio Pichierri
Journal of Molecular Structure: THEOCHEM 686 (1-3) 57-63 2004/10/25
DOI：
10.1016/j.theochem.2004.08.012
ISSN：
0166-1280
-
Density functional study of cucurbituril and its sulfur analogue
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 390 (1-3) 214-219 2004/05/21
DOI：
10.1016/j.cplett.2004.04.006
ISSN：
0009-2614
-
A quantum mechanical study on phosphotyrosyl peptide binding to the SH2 domain of p56lck tyrosine kinase with insights into the biochemistry of intracellular signal transduction events
Peer-reviewed
Fabio Pichierri
Biophysical Chemistry 109 (2) 295-304 2004/05/01
DOI：
10.1016/j.bpc.2003.12.006
ISSN：
0301-4622
-
Electric field effects on a single carotene molecule
Peer-reviewed
Fabio Pichierri
Physica E: Low-Dimensional Systems and Nanostructures 21 (1) 108-110 2004/02
DOI：
10.1016/j.physe.2003.09.036
ISSN：
1386-9477
-
Theoretical study on adamantylidene-adamantane adducts by using semiempirical molecular orbital methods
Peer-reviewed
Fabio Pichierri
Journal of Molecular Structure: THEOCHEM 668 (2-3) 179-187 2004/01/23
DOI：
10.1016/j.theochem.2003.10.027
ISSN：
0166-1280
-
Exohedral functionalization of the icosahedral cluster Si <inf>20</inf>H<inf>20</inf>: A density functional theory study
Peer-reviewed
Fabio Pichierri, Vijay Kumar, Yoshiyuki Kawazoe
Chemical Physics Letters 383 (5-6) 544-548 2004/01/15
DOI：
10.1016/j.cplett.2003.11.087
ISSN：
0009-2614
-
NMR and computational studies of the chemical reduction of [2.2]paracyclophane: formation of dianionic p-xylenyl oligomers
Peer-reviewed
Ilya D. Gridnev, Fabio Pichierri
Chemical Communications 4 (2) 150-151 2004
DOI：
10.1039/b311885a
ISSN：
1359-7345
eISSN：
1364-548X
-
Computation of the permanent dipole moment of α-chymotrypsin from linear-scaling semiempirical quantum mechanical methods
Peer-reviewed
Fabio Pichierri
Journal of Molecular Structure: THEOCHEM 664-665 197-205 2003/12/15
DOI：
10.1016/j.theochem.2003.09.003
ISSN：
0166-1280
-
Proposal for using C<inf>60</inf> anions as propellants for ion engines
Peer-reviewed
Fabio Pichierri
Physics Letters, Section A: General, Atomic and Solid State Physics 318 (4-5) 425-428 2003/11/17
DOI：
10.1016/j.physleta.2003.09.036
ISSN：
0375-9601
-
Effect of fluorine substitution on the proton transfer barrier in malonaldehyde. A density functional theory study
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 376 (5-6) 781-787 2003/07/31
DOI：
10.1016/S0009-2614(03)01117-5
ISSN：
0009-2614
-
Mechanism of tyrosine phosphorylation catalyzed by the insulin receptor tyrosine kinase: A semiempirical PM3 study
Peer-reviewed
Fabio Pichierri, Yo Matsuo
Journal of Molecular Structure: THEOCHEM 622 (3) 257-267 2003/03/19
DOI：
10.1016/S0166-1280(02)00651-6
ISSN：
0166-1280
-
Halide anion recognition by calix[4]pyrrole: A quantum chemical study
Peer-reviewed
Fabio Pichierri
Journal of Molecular Structure: THEOCHEM 581 (1-3) 117-127 2002/04
DOI：
10.1016/S0166-1280(01)00749-7
ISSN：
0166-1280
-
Theoretical study of the proton exchange reaction: HCNH+ + HCN ↔ HNC + HCNH+
Peer-reviewed
Fabio Pichierri
Chemical Physics Letters 353 (5-6) 383-388 2002/02/26
DOI：
10.1016/S0009-2614(02)00049-0
ISSN：
0009-2614
-
Effect of protonation of the N-acetyl neuraminic acid residue of sialyl LewisX: A molecular orbital study with insights into its binding properties toward the carbohydrate recognition domain of E-selectin
Peer-reviewed
Fabio Pichierri, Yo Matsuo
Bioorganic and Medicinal Chemistry 10 (8) 2751-2757 2002
DOI：
10.1016/S0968-0896(02)00092-5
ISSN：
0968-0896
-
First-principles pseudo-potential study of the Pd(110)-c(2×2)-ethylene adsorption system
Peer-reviewed
Fabio Pichierri, Toshiaki Iitaka, Toshikazu Ebisuzaki, Maki Kawai, David M. Bird
Journal of Physical Chemistry B 105 (34) 8149-8154 2001/08/30
DOI：
10.1021/jp010113k
ISSN：
1089-5647
-
Proton tunneling in calix[4]arenes: A theoretical investigation
Peer-reviewed
Antonio Fernández-Ramos, Zorka Smedarchina, Fabio Pichierri
Chemical Physics Letters 343 (5-6) 627-632 2001/08/10
DOI：
10.1016/S0009-2614(01)00741-2
ISSN：
0009-2614
-
Pressure-induced structural change of the tetrafluoro-p-benzoquinone (p-fluoranil) crystal from ab initio total energy calculations
Peer-reviewed
Fabio Pichierri, Akiko Sekine, Toshikazu Ebisuzaki
Chemical Physics 264 (1) 9-19 2001/02/01
DOI：
10.1016/S0301-0104(00)00391-8
ISSN：
0301-0104
-
Evaluation of free energy landscape for base-amino acid interactions using ab initio force field and extensive sampling
Peer-reviewed
T. Yoshida, T. Nishimura, M. Aida, F. Pichierri, M. M. Gromiha, A. Sarai
Biopolymers 61 (1) 84-95 2001
DOI：
10.1002/1097-0282(2001)61:1<84::AID-BIP10045>3.0.CO;2-X
ISSN：
0006-3525
-
Through-space exciton coupling and multimodal Na+/K+ sensing properties of calix[4]arenecrowns with the thienylene analogue of para-terphenoquinone as chromophore
Peer-reviewed
Kazuko Takahashi, Atsushi Gunji, Dominique Guillaumont, Fabio Pichierri, Shinichiro Nakamura
Angewandte Chemie - International Edition 39 (16) 2925-2928 2000/08/18
DOI：
10.1002/1521-3773(20000818)39:16<2925::AID-ANIE2925>3.0.CO;2-A
ISSN：
1433-7851
-
Phosphorous disulfide and its ions in the electronic ground state: A gas phase theoretical study
Peer-reviewed
F. Pichierri
Journal of Molecular Structure: THEOCHEM 507 (1-3) 127-136 2000/07/24
DOI：
10.1016/S0166-1280(99)00368-1
ISSN：
0166-1280
-
Elastic properties of the poly-L-glycine α-helix from periodic SCF-LMO calculations
Peer-reviewed
Fabio Pichierri, Akinori Sarai
Chemical Physics Letters 322 (6) 536-542 2000/06/02
DOI：
10.1016/S0009-2614(00)00448-6
ISSN：
0009-2614
-
Ruthenium(II) complexes with chelated RCE<inf>2</inf>- ions (E = O or S) bearing 1-(diphenylphosphino)-2-(2-pyridyl)ethane (ppye). Crystal structures of cis,trans-[Ru(RCO<inf>2</inf>)(ppye)<inf>2</inf>]PF<inf>6</inf> (R = H or CH<inf>3</inf>)
Peer-reviewed
Alessandro Del Zotto, Eliana Rocchini, Fabio Pichierri, Ennio Zangrando, Pierluigi Rigo
Inorganica Chimica Acta 299 (2) 180-191 2000/03/15
DOI：
10.1016/S0020-1693(99)00495-8
ISSN：
0020-1693
-
Free-energy landscape of DNA base-amino acid interactions : specificity in the protein-DNA recognition
Aida M., Kono H., Gromiha M.Michael, Sayano K., Pichierri Fabio, Sarai A.
Seibutsu Butsuri 40 S92 2000
Publisher:
The Biophysical Society of Japan General Incorporated Association
DOI：
10.2142/biophys.40.S92_3
ISSN：
0582-4052
-
Pt as mediator of strong antiferromagnetic coupling between two CuII ions in a heteronuclear CuIIPtIICuII complex of the model nucleobase 1-methylcytosinate
Peer-reviewed
Alexander Hegmans, Ennio Zangrando, Eva Freisinger, Fabio Pichierri, Lucio Randaccio, Carlo Mealli, Michael Gerdan, Alfred X. Trautwein, Bernhard Lippert
Chemistry - A European Journal 5 (10) 3010-3018 1999/10
DOI：
10.1002/(sici)1521-3765(19991001)5:10<3010::aid-chem3010>3.0.co;2-o
ISSN：
0947-6539
-
Free-energy maps of base-amino acid interactions for DNA-protein recognition
Peer-reviewed
Fabio Pichierri, Misako Aida, M. Michael Gromiha, Akinori Sarai
Journal of the American Chemical Society 121 (26) 6152-6157 1999/07/07
DOI：
10.1021/ja984124b
ISSN：
0002-7863
-
Properties of phosphorothioate DNA analogs. An ab initio study of prototype model linkages derived from dimethyl-phosphate anion
Peer-reviewed
Fabio Pichierri, Akinori Sarai
Journal of Molecular Structure: THEOCHEM 460 (1-3) 103-116 1999/02/26
DOI：
10.1016/S0166-1280(98)00309-1
ISSN：
0166-1280
-
Prediction of target sites for transcription factors : Structure-based and ab-initio methods
Kono H., Gromiha M., Sayano K., Pichierrri F., Aida M., Sarai A.
Seibutsu Butsuri 39 S179 1999
Publisher:
The Biophysical Society of Japan General Incorporated Association
DOI：
10.2142/biophys.39.S179_2
ISSN：
0582-4052
-
Qualitative EH-FMO interpretation of the 195Pt NMR shifts in heterobimetallic complexes containing the Pt-Pd-Y core: An inverse halogen dependence
Peer-reviewed
Fabio Pichierri, Elisabetta Chiarparin, Ennio Zangrando, Lucio Randaccio, Dagmar Holthenrich, Bernhard Lippert
Inorganica Chimica Acta 264 (1-2) 109-116 1997/11/01
DOI：
10.1016/s0020-1693(97)05601-6
ISSN：
0020-1693
-
Structural aspects of Pt complexes containing model nucleobases
Peer-reviewed
Ennio Zangrando, Fabio Pichierri, Lucio Randaccio, Bernhard Lippert
Coordination Chemistry Reviews 156 275-332 1996/12
DOI：
10.1016/0010-8545(95)01250-8
ISSN：
0010-8545
-
Trans-bis(methylamine-N)bis(1-methyl-cytosine-N3)platinum(II) bis[tetrachlorothallate(III)]
Peer-reviewed
Ennio Zangrando, Lucio Randaccio, Fabio Pichierri, Bernhard Lippert, Dagmar Holthenrich
Acta Crystallographica Section C: Crystal Structure Communications 52 (10) 2468-2470 1996/10/15
DOI：
10.1107/S010827019600683X
ISSN：
0108-2701
-
Metal-stabilized rare tautomers of nucleobases. 5. Iminooxo tautomer of cytosine coordinated to Pt(II) with metal and nucleobase in syn and anti orientations
Peer-reviewed
F. Pichierri, D. Holthenrich, E. Zangrando, B. Lippert, L. Randaccio
Journal of Biological Inorganic Chemistry 1 (5) 439-445 1996/10
DOI：
10.1007/s007750050076
ISSN：
0949-8257
-
Crystallography and bonding in platinum complexes with 1-methylcytosine bridging ligand
E. Zangrando, C. Mealli, F. Pichierri, L. Randaccio
Bollettino Chimico Farmaceutico 135 (8) 486-489 1996/09
ISSN：
0006-6648
-
Palladium-1-methylcytosine compounds: Crystal structure of the tris(nucleobase) complex [(NH<inf>3</inf>)Pd(1-MeC-N3)<inf>3</inf>] (ClO<inf>4</inf>)<inf>2</inf>·H<inf>2</inf>O. Role of intramolecular H bonding in stabilizing the head-tail-head rotamer
Peer-reviewed
Dagmar Holthenrich, Ennio Zangrando, Fabio Pichierri, Lucio Randaccio, Bernhard Lippert
Inorganica Chimica Acta 248 (2) 175-179 1996/07/15
DOI：
10.1016/0020-1693(96)05013-X
ISSN：
0020-1693
-
Quinolone derivatives: Synthesis and binding evaluation on cholecystokinin receptors
A. Varnavas, L. Lassiani, E. Luxich, M. Zacchigna, E. Boccu, F. Pichierri
Farmaco 51 (5) 341-350 1996
ISSN：
0014-827X
-
Theoretical Aspects of the Heterobimetallic Dimers with the T over Square Structural Motif. Synthesis and Structure of a Heteronuclear Platinum and Palladium Complex with 1-Methylcytosinato Bridging Ligands
Peer-reviewed
Carlo Mealli, Fabio Pichierri, Lucio Randaccio, Ennio Zangrando, Michael Krumm, Dagmar Holtenrich, Bernhard Lippert
Inorganic Chemistry 34 (13) 3418-3424 1995/06/01
DOI：
10.1021/ic00117a008
ISSN：
0020-1669
eISSN：
1520-510X
-
Mass dependence from statistical analysis of stretching vibrational levels. Application to the linear triatomic molecule CS<inf>2</inf>
Peer-reviewed
Fabio Pichierri, Jair Botina, Naseem Rahman
Chemical Physics Letters 236 (6) 543-546 1995/04
DOI：
10.1016/0009-2614(95)00262-3
ISSN：
0009-2614
-
Intramolecular dynamics from a statistical analysis of vibrational levels: Application of two coupled Morse oscillator models to the HCN molecule
Peer-reviewed
Fabio Pichierri, Jair Botina, Naseem Rahman
Physical Review A 52 (4) 2624-2631 1995
DOI：
10.1103/PhysRevA.52.2624
ISSN：
1050-2947
-
Cytosine nucleobase as a tridentate ligand: Metal binding to N(3), N(4) and O(2) in trans-[(NH<inf>2</inf>Me)<inf>2</inf>Pt(dmcyt)<inf>2</inf>Ag <inf>2</inf>][NO<inf>3</inf>]<inf>2</inf> (dmcyt = 1,5-dimethylcytosinate)
Peer-reviewed
Dagmar Holthenrich, Michael Krumm, Ennio Zangrando, Fabio Pichierri, Lucio Randaccio, Bernhard Lippert
Journal of the Chemical Society, Dalton Transactions (20) 3275-3279 1995
DOI：
10.1039/DT9950003275
ISSN：
1472-7773
-
Effect of the increase in molecular complexity on the statistical properties of vibrational spectra. Four coupled Morse oscillators
Peer-reviewed
Fabio Pichierri, Naseem Rahman
Chemical Physics Letters 223 (4) 275-278 1994/06/24
DOI：
10.1016/0009-2614(94)00456-0
ISSN：
0009-2614
-
Isotopic mass as discrete control variable in chaotic processes. The case of molecular vibrations
Peer-reviewed
Jair Botina, Fabio Pichierri, Naseem Rahman
Chemical Physics Letters 208 (3-4) 153-158 1993/06/11
DOI：
10.1016/0009-2614(93)89054-L
ISSN：
0009-2614
