Fausto Cargnoni: search on Z-Library

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1

Chemical insight into electron density and wave functions: software developments and applications to crystals, molecular complexes and materials science

Luca Bertini, Fausto Cargnoni, Carlo Gatti

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2007

Language:

english

File:

PDF, 1.42 MB

english, 2007

2

Communication: Nucleation of quantized vortex rings in 4He nanodroplets

Mateo, David, Leal, Antonio, Hernando, Alberto, Barranco, Manuel, Pi, Martí, Cargnoni, Fausto, Mella, Massimo, Zhang, Xiaohang, Drabbels, Marcel

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 731 KB

english, 2014

3

Helium-induced electronic transitions in photo-excited Ba + –He n exciplexes

Vindel Zandbergen, Patricia, Barranco, Manuel, Cargnoni, Fausto, Drabbels, Marcel, Pi, Martí, Halberstadt, Nadine

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 841 KB

english, 2018

4

Organic Spintronics: A Theoretical Investigation of a Graphene-Porphyrin Based Nanodevice

del Castillo, Elisabetta, Cargnoni, Fausto, Soave, Raffaella, Trioni, Mario Italo

Journal:

Magnetochemistry

Year:

2020

File:

PDF, 1.43 MB

2020

5

Coinage metal exciplexes with helium atoms: a theoretical study of M*(2L)Hen (M = Cu, Ag, Au; L = P,D)

Cargnoni, Fausto, Ponti, Alessandro, Mella, Massimo

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.11 MB

english, 2013

6

The electronic structure of nitrilimine: absence of the carbenic form

Cargnoni, Fausto, Molteni, Giorgio, Cooper, David L., Raimondi, Mario, Ponti, Alessandro

Journal:

Chemical Communications

Year:

2006

Language:

english

File:

PDF, 223 KB

english, 2006

7

Spin-polarized charge transfer induced by transition metal adsorption on graphene

Castillo, Elisabetta del, Cargnoni, Fausto, Soave, Raffaella, Trioni, Mario I

Journal:

Physica Scripta

Year:

2016

Language:

english

File:

PDF, 568 KB

english, 2016

8

Electronic Structure and Magnetic Coupling of Pure and Mg-Doped KCuF 3

Cargnoni, Fausto, Cenedese, Simone, Ghigna, Paolo, Trioni, Mario Italo, Scavini, Marco

Journal:

Advances in Condensed Matter Physics

Year:

2018

Language:

english

File:

PDF, 4.05 MB

english, 2018

9

The azide–alkyne cycloaddition catalysed by transition metal oxide nanoparticles

Molteni, Giorgio, Ferretti, Anna M., Trioni, Mario Italo, Cargnoni, Fausto, Ponti, Alessandro

Journal:

New Journal of Chemistry

Year:

2019

File:

PDF, 3.73 MB

2019

10

Spin-filtering in graphene junctions with Ti and Co adsorbates

del Castillo, Elisabetta, Achilli, Simona, Cargnoni, Fausto, Ceresoli, Davide, Soave, Raffaella, Trioni, Mario I

Journal:

Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.74 MB

english, 2016

11

A cascade mechanism for a simple reaction: The gas-phase methylation of phenol with methanol

Tabanelli, Tommaso, Passeri, Sauro, Guidetti, Stefania, Cavani, Fabrizio, Lucarelli, Carlo, Cargnoni, Fausto, Mella, Massimo

Journal:

Journal of Catalysis

Year:

2019

File:

PDF, 3.17 MB

2019

12

An MO−VB Approach for the Determination of Intermolecular Forces. Theory and Calculations on the He 2 , He−CH 4 , and He−H 2 O Systems

Calderoni, Gabriele, Cargnoni, Fausto, Famulari, Antonino, Raimondi, Mario

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 185 KB

english, 2002

13

Predicting atomic dopant solvation in helium clusters: The MgHe[sub n] case

Mella, Massimo, Calderoni, Gabriele, Cargnoni, Fausto

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 386 KB

english, 2005

14

Fundamental Properties and Nature of CH··O Interactions in Crystals on the Basis of Experimental and Theoretical Charge Densities. The Case of 3,4-Bis(dimethylamino)-3-cyclobutene-1,2-dione (DMACB) Crystal

Gatti, Carlo, May, Emanuela, Destro, Riccardo, Cargnoni, Fausto

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 184 KB

english, 2002

15

Ab-initio Many Body Perturbation Theory calculations of the electronic and optical properties of cyclometalated Ir(III) complexes

Cazzaniga, Marco, Cargnoni, Fausto, Penconi, Marta, Bossi, Alberto, Ceresoli, Davide

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 1.12 MB

english, 2019

16

Solubility of Metal Atoms in Helium Droplets: Exploring the Effect of the Well Depth Using the Coinage Metals Cu and Ag

Cargnoni, Fausto, Mella, Massimo

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.76 MB

english, 2011

17

Mapping the complete bonding network in KBH4 using the combined power of powder diffraction and maximum entropy method

Bindzus, Niels, Cargnoni, Fausto, Gatti, Carlo, Richter, Bo, Jensen, Torben R., Takata, Masaki, Iversen, Bo B.

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 2.58 MB

english, 2015

18

Chemical information from the source function

Carlo Gatti, Fausto Cargnoni, Luca Bertini

Journal:

Journal of Computational Chemistry

Year:

2003

Language:

english

File:

PDF, 701 KB

english, 2003

19

Magnetic Moments and Electron Transport through Chromium-Based Antiferromagnetic Nanojunctions

Bragato, Marco, Achilli, Simona, Cargnoni, Fausto, Ceresoli, Davide, Martinazzo, Rocco, Soave, Raffaella, Trioni, Mario

Journal:

Year:

2018

Language:

english

File:

PDF, 34.80 MB

english, 2018

20

Interstitial Zn Atoms Do the Trick in Thermoelectric Zinc Antimonide, Zn4Sb3: A Combined Maximum Entropy Method X-ray Electron Density and Ab Initio Electronic Structure Study

Fausto Cargnoni, Eiji Nishibori, Philippe Rabiller, Luca Bertini, G. Jeffrey Snyder, Mogens Christensen, Carlo Gatti, Bo Brummerstadt Iversen

Journal:

Chemistry - A European Journal

Year:

2004

Language:

english

File:

PDF, 439 KB

english, 2004

21

Exciplexes with Ionic Dopants: Stability, Structure, and Experimental Relevance of M + ( 2 P) 4 He n (M = Sr, Ba)

Mella, Massimo, Cargnoni, Fausto

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.66 MB

english, 2014

22

Results and perspectives of the MO–VB method. Application examples on the He2 and the LiH–He complexes

Cargnoni, Fausto, Raimondi, Mario

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.13 MB

english, 2010

23

Dynamics of photoexcited Ba + cations in 4 He nanodroplets

Leal, Antonio, Zhang, Xiaohang, Barranco, Manuel, Cargnoni, Fausto, Hernando, Alberto, Mateo, David, Mella, Massimo, Drabbels, Marcel, Pi, Martí

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.35 MB

english, 2016

24

Geometrical reconstructions and electronic relaxations of silicon surfaces. I. An electron density topological study of H-covered and clean Si(111)(1×1) surfaces

Cargnoni, Fausto, Gatti, Carlo, May, Emanuela, Narducci, Dario

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 443 KB

english, 2000

25

nanodroplets

Leal, Antonio, Mateo, David, Hernando, Alberto, Pi, Martí, Barranco, Manuel, Ponti, Alessandro, Cargnoni, Fausto, Drabbels, Marcel

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 2.40 MB

english, 2014

26

Ground state potential energy surfaces and bound states of M–He dimers (M=Cu,Ag,Au): A theoretical investigation

Cargnoni, Fausto, Kuś, Tomasz, Mella, Massimo, Bartlett, Rodney J.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 837 KB

english, 2008

27

A Theoretical Study on the Rotational Motion and Interactions in the Disordered Phase of MBH 4 (M = Li, Na, K, Rb, Cs)

Bindzus, Niels, Cargnoni, Fausto, Iversen, Bo B., Gatti, Carlo

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

28

Direct-space analysis of the electronic structure of the YBa 2 Cu 3 O 6 and YBa 2 Cu 3 O 7 crystals

Cargnoni, Fausto, Scavini, Marco

Journal:

Canadian Journal of Chemistry

Year:

2002

File:

PDF, 577 KB

2002

29

Ab-initio Many Body Perturbation Theory calculations of the electronic and optical properties of cyclometalated Ir(III) complexes

Cazzaniga, Marco, Cargnoni, Fausto, Penconi, Marta, Bossi, Alberto, Ceresoli, Davide

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 1.12 MB

2019

30

Understanding the Reorientational Dynamics of Solid-State MBH 4 (M = Li–Cs)

Bindzus, Niels, Cargnoni, Fausto, Iversen, Bo B., Gatti, Carlo

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 1.61 MB

english, 2015

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