La Manna, Gianfranco: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Hydrogenation of acetylene–ethylene mixtures on Pd catalysts: study of the surface mechanism by computational approaches. Metal dispersion and catalytic activity

Dario Duca, Zsuzsanna Varga, Gianfranco La Manna, Tamás Vidóczy

Journal:

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

Year:

2000

Language:

english

File:

PDF, 164 KB

english, 2000

2

The molecular structure of N-hydroxyurea

Gianfranco La Manna, Giampaolo Barone

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 208 KB

english, 1996

3

The interaction of deoxyribonucleic acid with methyltin(IV) moieties in solution studied by small-angle X-ray scattering, circular dichroism and UV spectroscopy

Giampaolo Barone, Renato Barbieri, Gianfranco La Manna, Michel H. J. Koch

Journal:

Applied Organometallic Chemistry

Year:

2000

Language:

english

File:

PDF, 115 KB

english, 2000

4

Computational study of dimethyl- and trimethyl-tin(IV) complexes of porphyrin derivatives

Dario Duca, Giampaolo Barone, Gianfranco La Manna, Tiziana Fiore, Claudia Pellerito, Roberta Di Stefano, Michelangelo Scopelliti, Lorenzo Pellerito

Journal:

Applied Organometallic Chemistry

Year:

2001

Language:

english

File:

PDF, 345 KB

english, 2001

5

Semi-empirical MNDO study of the structure of some diorganotin (IV) glycylglycinates

Gianfranco La Manna, Giuseppe Ruisi, Renato Barbieri, Friedo Huber

Journal:

Applied Organometallic Chemistry

Year:

1993

Language:

english

File:

PDF, 201 KB

english, 1993

6

DFT Calculations of the Electric Field Gradient at the Tin Nucleus as a Support of Structural Interpretation by 119Sn Mössbauer Spectroscopy

Giampaolo Barone, Arturo Silvestri, Giuseppe Ruisi, Gianfranco La Manna

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 156 KB

english, 2005

7

X-ray Absorption Spectra of CuII and CuIII Complexes of N,N′-1,2-Phenylenebis(2-mercapto-2-methylpropionamide)

Giampaolo Barone, Gianfranco La Manna, Dario Duca

Journal:

European Journal of Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 146 KB

english, 2005

8

Theoretical study of the interaction between sodium ion and a cyclopeptidic tubular structure

Francesco Ferrante, Gianfranco La Manna

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 323 KB

english, 2007

9

Computational study on the interaction of water with 2- and 3-hydroxypyridine and the corresponding pyridones

Gianfranco La Manna, Eduardo Venuti

Journal:

Journal of Computational Chemistry

Year:

1982

Language:

english

File:

PDF, 752 KB

english, 1982

10

Montecarlo calculation of the structure of liquid acetonitrile

Gianfranco La Manna, Carmelo E. Notaro

Journal:

Journal of Molecular Liquids

Year:

1992

Language:

english

File:

PDF, 242 KB

english, 1992

11

Ab initio evaluation of the equilibria between isomeric cyclooctadienes

Gianfranco La Manna, Dario Duca

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

1996

Language:

english

File:

PDF, 331 KB

english, 1996

12

A new suggested class of organic tubular structures

Francesco Ferrante, Gianfranco La Manna

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 183 KB

english, 2004

13

Theoretical study of spiropyran–merocyanine thermal isomerization

Grazia Cottone, Rosina Noto, Gianfranco La Manna

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 241 KB

english, 2004

14

Structural and spectroscopic study of the Br2⋯3-Br-pyridine complex by DFT calculations

Benedetto Raimondi, Gianfranco La Manna

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2008

Language:

english

File:

PDF, 305 KB

english, 2008

15

Structural and spectroscopic characterisation of 2-(2′-hydroxybenzoyl) pyrrole and its O-methyl derivative

Maurizio Ciofalo, Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 120 KB

english, 2004

16

Conformational analysis of N-hydroxyurea in the gas phase

Giovanni Di Gregorio, Gianfranco La Manna, Juan Carlos Paniagua, Eudald Vilaseca

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 283 KB

english, 2004

17

Erratum to “Conformational analysis of N-hydroxyurea in the gas phase” [J. Mol. Struct. (Theochem) 673 (2004) 87–92]

Giovanni Di Gregorio, Gianfranco La Manna, Juan Carlos Paniagua, Eudald Vilaseca

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

File:

PDF, 71 KB

2004

18

DFT computational study on FeIII-N,N′-ethylene-bis(salicylideneiminato) derivatives

Giampaolo Barone, Arturo Silvestri, Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 161 KB

english, 2005

19

Conformational analysis of methyl-substituted 9,10-dihydroanthracenes

Gianfranco La Manna, M. Concetta Natoli, Gianfranco Fontana

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 320 KB

english, 2005

20

Ab initio study on the photoisomers of a nitro-substituted spiropyran

Grazia Cottone, Rosina Noto, Gianfranco La Manna, Sandro L. Fornili

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 222 KB

english, 2000

21

Ab initio conformational study of 2,2′:5′,2″-terthiophene

Maurizio Ciofalo, Gianfranco La Manna

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 391 KB

english, 1996

22

ONIOM study on the equilibrium geometries of some cyclopeptides

Francesco Ferrante, Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 193 KB

english, 2003

23

Theoretical calculation of the vibrational spectra of cis-cis-cyclooctadienes in the vapour phase

Gianfranco La Manna, Zsuzsanna Varga, Dario Duca

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2000

Language:

english

File:

PDF, 113 KB

english, 2000

24

The electronic spectra of 2-(2′-hydroxybenzoyl)pyrrole and 2-(2′-methoxybenzoyl)pyrrole: a theoretical study

Giovanni Ghigo, Maurizio Ciofalo, Laura Gagliardi, Gianfranco La Manna, Christopher J. Cramer

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 1.55 MB

english, 2005

25

CASSCF/CASPT2 analysis of the fragmentation of H2 on a Pd4 cluster

Giampaolo Barone, Dario Duca, Francesco Ferrante, Gianfranco La Manna

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 136 KB

english, 2010

26

Kinetic study of 1,5-cyclooctadiene hydro-isomerization on Pd/pumice catalysts

Dario Duca, Gianfranco La Manna, Giulio Deganello

Journal:

Catalysis Letters

Year:

1998

Language:

english

File:

PDF, 175 KB

english, 1998

27

Ab initio study of the tautomeric equilibria of hydroxydiazines in the vapour phase: Part 3. 5-Hydroxypyrimidine and hydroxypyrazine

Gianfranco La Manna, Franco Biondi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1989

Language:

english

File:

PDF, 206 KB

english, 1989

28

Ab initio study of the tautomeric equilibria of hydroxydiazines in the vapour phase: Part 4. Hydroxypyridazines

Gianfranco La Manna, Franco Biondi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 247 KB

english, 1992

29

Theoretical study of carbamic acid [1H-imidazol-2-yl-]methyl ester

Gianfranco La Manna, Marina Cotta Ramusino, Maurizio Cignitti

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1992

Language:

english

File:

PDF, 407 KB

english, 1992

30

An ab initio study of the tautomeric equilibria of the N-oxides of hydroxypyridines in the vapour phase

Gianfranco La Manna, Franco Biondi

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 205 KB

english, 1993

31

Ab initio study of the tautomeric forms of some quinolinediones

Monica Bartolomei, Maurizio Cignitti, Marina Cotta Ramusino, Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1995

Language:

english

File:

PDF, 319 KB

english, 1995

32

An ab initio study of the molecular structure of chlorine nitrate

Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 383 KB

english, 1994

33

Ab initio calculations on the isomers of N-hydroxythiourea

Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 260 KB

english, 1996

34

Theoretical evaluation of structures and energetics involved in the hydrogenation of hydrocarbons on palladium surfaces

Gianfranco La Manna, Giampaolo Barone, Zsuzsanna Varga, Dario Duca

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 399 KB

english, 2001

35

N-Diphenylmethyl-2-propenamide: theoretical study of the structure and interaction with a DNA model system

Giampaolo Barone, Carmela Saturnino, Giovanni De Martino, Dario Duca, Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 228 KB

english, 2001

36

Ab initio calculations and vibrational spectroscopy on the phenylenediamine isomers

Rosina Noto, Maurizio Leone, Gianfranco La Manna, Filippo Brugè, Sandro L. Fornili

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 875 KB

english, 1998

37

Theoretical study of degenerate Boulton–Katritzky rearrangements. Semiempirical and ab initio procedures

Gianfranco La Manna, Silvestre Buscemi, Nicolò Vivona

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 108 KB

english, 1998

38

Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system

Giampaolo Barone, Marina Cotta Ramusino, Renato Barbieri, Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 188 KB

english, 1999

39

Ab initio calculations on the molecular structure of fluorocyanopolyynes

Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 340 KB

english, 1998

40

Ab initio study of lithiated N-methylpyridones

Marina Cotta Ramusino, Gianfranco La Manna

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 268 KB

english, 1996

41

Theoretical Study of Palladium Cluster Structures on Carbonaceous Supports

Duca, Dario, Ferrante, Francesco, La Manna, Gianfranco

Journal:

The Journal of Physical Chemistry C

Year:

2007

Language:

english

File:

PDF, 273 KB

english, 2007

42

A study of bullvalene by ab initio SCF MO calculations

Gianfranco La Manna, Antonino Sabatino

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1982

Language:

english

File:

PDF, 321 KB

english, 1982

43

Ab initio mo study of tautomeric equilibrium of hydroxypyridines in the vapour phase

Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1981

Language:

french

File:

PDF, 553 KB

french, 1981

44

Ab initio study of the tautomeric equilibria of hydroxydiazines in the vapour phase: Part 1. 2-Hydroxypyrimidine

Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 168 KB

english, 1984

45

Ab initio study of the tautomeric equilibria of hydroxydiazines in the vapour phase: Part 2. 4-Hydroxypyrimidine

Gianfranco La Manna

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1987

Language:

english

File:

PDF, 231 KB

english, 1987

46

On the reaction of a uranium atom with a nitrogen molecule: a theoretical attempt

Gagliardi, Laura, La Manna, Gianfranco, Roos, Bj�rn O.

Journal:

Faraday Discussions

Year:

2003

Language:

english

File:

PDF, 136 KB

english, 2003

47

DFT studies on catalytic properties of isolated and carbon nanotube supported Pd9 cluster–I: adsorption, fragmentation and diffusion of hydrogen

D’Anna, Vincenza, Duca, Dario, Ferrante, Francesco, La Manna, Gianfranco

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 781 KB

english, 2009

48

Computational Study on Cesium Azide Trapped in a Cyclopeptidic Tubular Structure

Armata, Nerina, Dyke, John M., Ferrante, Francesco, La Manna, Gianfranco

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 342 KB

english, 2008

49

Theoretical Study on Cystine-Based Cyclobisamides

Ferrante, Francesco, La Manna, Gianfranco

Journal:

Journal of Physical Chemistry A

Year:

2003

Language:

english

File:

PDF, 196 KB

english, 2003

50

Computational studies on surface reaction mechanisms: ethylene hydrogenation on platinum catalysts

Duca, Dario, La Manna, Gianfranco, Rosa Russo, Maria

Journal:

Physical Chemistry Chemical Physics

Year:

1999

Language:

english

File:

PDF, 177 KB

english, 1999