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1

On the overlap population analysis in the SCCC MO method

G. De Alti, V. Galasso

Journal:

Chemical Physics Letters

Year:

1971

Language:

english

File:

PDF, 290 KB

english, 1971

2

Binding energies as computed by a one center expansion method

G. de Alti, P. Decleva

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 326 KB

english, 1975

3

Binding energies of CH3F and CH2F2 calculated by the overlapping sphere SCF MS Xα method

G. de Alti, P. Decleva, A. Sgamellotti

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 234 KB

english, 1977

4

Binding energies of third row hydrides computed by a one-center expansion method

G. De Alti, P. Decleva

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 370 KB

english, 1977

5

The ΔSCF formalism in the Xα method. An application to the fluoro-methanes

Giancarlo De Alti, Piero Decleva, Antonio Sgamellotti

Journal:

Chemical Physics Letters

Year:

1978

Language:

english

File:

PDF, 272 KB

english, 1978

6

Photoelectron spectra and electronic structure of furan homologues computed by the ms scf Xα method

Giancarlo De Alti, Piero Decleva

Journal:

Chemical Physics Letters

Year:

1981

Language:

english

File:

PDF, 453 KB

english, 1981

7

Configuration interaction with Xα orbitals. A CI and RSPT study of the ground and ionized states of the Be atom

G. De Alti, P. Decleva, A. Lisini

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 364 KB

english, 1983

8

CNDO calculations of ring puckering potential energy

Giancarlo De Alti, Piero Decleva

Journal:

Journal of Molecular Structure

Year:

1976

Language:

english

File:

PDF, 712 KB

english, 1976

9

Semi-empirical and ab initio calculations on cyclopentene ring puckering

Giancarlo De Alti, Piero Decleva

Journal:

Journal of Molecular Structure

Year:

1977

Language:

english

File:

PDF, 409 KB

english, 1977

10

Conformational studies on 1,1-bis(methylthio)ethylene

Giancarlo de Alti, Piero Decleva, Antonio Sgamellotti

Journal:

Journal of Molecular Structure

Year:

1979

Language:

english

File:

PDF, 561 KB

english, 1979

11

MS-SCF-Xα calculation of the rotational barriers in ethane-like molecules

Giancarlo De Alti, Piero Decleva, Adriana Lisini

Journal:

Journal of Molecular Structure

Year:

1980

Language:

english

File:

PDF, 543 KB

english, 1980

12

A theoretical study of shake up structure of benzene and furan homologues

Giancarlo de Alti, Piero Decleva

Journal:

Journal of Molecular Structure

Year:

1983

Language:

english

File:

PDF, 682 KB

english, 1983

13

On the validity of the Xα method in the computation of ionization potentials. A comparison of the results for small molecules

Giancarlo De Alti, Piero Decleva, Adriana Lisini

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 791 KB

english, 1982

14

MS Xα and LCAO Xα calculations of ionization potentials. A comparison with Koopmans' theorem and accurate calculations

Giancarlo De Alti, Piero Decleva, Adriana Lisini

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 814 KB

english, 1983

15

Theoretical study of shake-up in the core photoelectron spectra of the alkali atoms

G. de Alti, P. Decleava, A. Lisini

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 610 KB

english, 1983

16

An ab initio study of the satellite structure in the heteroatom core ionization of furan, pyrrole and thiophene

G. de Alti, P. Decleva, A. Lisini

Journal:

Chemical Physics

Year:

1984

Language:

english

File:

PDF, 1.05 MB

english, 1984

17

Cl Calculations on the alkaline-earth atoms: A comparison with 2ph-TDA green function results

G. De Alti, P. Decleva, A. Lisini

Journal:

Chemical Physics

Year:

1985

Language:

english

File:

PDF, 785 KB

english, 1985

18

Ab initio calculations of the core ionization spectra of unsaturated hydrocarbons

A. Baldovin, G. De Alti, P. Decleva, G. Fronzoni, A. Lisini

Journal:

Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.24 MB

english, 1993

19

Correlation effects in core and valence photoelectron spectra of alkene molecules

G. Fronzoni, G. De Alti, P. Decleva, A. Lisini

Journal:

Chemical Physics

Year:

1995

Language:

english

File:

PDF, 1.32 MB

english, 1995

20

Ionized states of fluoromethanes computed by the SCF-MS-Xα method

Giancarlo De Alti, Piero Decleva, Antonio Sgamellotti

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1977

Language:

english

File:

PDF, 609 KB

english, 1977

21

CI calculations of the inner and outer valence photoelectron spectra of the fourth row hydrides

G. Fronzoni, G. De Alti, P. Decleva, A. Lisini

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1992

Language:

english

File:

PDF, 1.19 MB

english, 1992

22

Ab initio CI investigation of valence photoelectron spectra of conjugated hydrocarbons

G. Fronzoni, P. Decleva, A. Lisini, G. De Alti

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1994

Language:

english

File:

PDF, 1.52 MB

english, 1994

23

General valence force constants for group (V) B hydrides

Giancarlo De Alti, Giacomo Costa, Vinicio Galasso

Journal:

Spectrochimica Acta

Year:

1964

Language:

english

File:

PDF, 453 KB

english, 1964

24

Normal coordinate treatment and molecular constants for fluoro-, chloro- and bromo-forms

Vinicio Galasso, Giancarlo de Alti, Giacomo Costa

Journal:

Spectrochimica Acta

Year:

1965

Language:

english

File:

PDF, 505 KB

english, 1965

25

Potential energy constants, mean-square amplitudes of vibration and rotational distortion constants for C2F4, C2Cl4 and C2Br4

Giancarlo De Alti, Vinicio Galasso, Giacomo Costa

Journal:

Spectrochimica Acta

Year:

1965

Language:

english

File:

PDF, 589 KB

english, 1965

26

Electronic structure and spectra of fused n/m ring systems with one or two bridgehead nitrogen atoms—IV: The pyrazolo[1.2a]pyridazinium cation, the benzo(c)pyrazolo[1.2a]cinnolinium cation and pyrrolo[1.2f]phenanthridine

V. Galasso, G. De Alti

Journal:

Year:

1969

Language:

english

File:

PDF, 433 KB

english, 1969

27

MO calculations on the preferred conformation and electronic structure of phenylpyridines and bipyridines

V. Galasso, G. De Alti, A. Bigotto

Journal:

Year:

1971

Language:

english

File:

PDF, 424 KB

english, 1971

28

MO calculations on the preferred conformation and electronic structure of phenyl-derivatives of pyrrole, furan and thiophene

V. Galasso, G. De Alti

Journal:

Year:

1971

Language:

english

File:

PDF, 254 KB

english, 1971

29

An MS-Xα study of the photoelectron spectra and bonding in the fluorosilanes

Giancarlo De Alti, Piero Decleva, Antonio Sgamellotti

Journal:

Chemical Physics

Year:

1978

Language:

english

File:

PDF, 806 KB

english, 1978

30

TDLDA calculations of photoionization cross-section and asymmetry parameter profiles of alkaline-earth atoms

M. Stener, G. De Alti, G. Fronzoni, P. Decleva

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 984 KB

english, 1997

31

Convergence of the density functional one-centre expansion for the molecular continuum: N2 and (CH3)3N

M. Stener, G. De Alti, P. Decleva

Journal:

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

Year:

1999

Language:

english

File:

PDF, 259 KB

english, 1999

32

The conformation of diphenyl ether, sulphide and selenide: A quantum-mechanical interpretation

V. Galasso, G. De Alti, A. Bigotto

Journal:

Year:

1971

Language:

english

File:

PDF, 566 KB

english, 1971

33

Theoretical study of the Cl 1s and 2p near edge photoabsorption spectra of HCl by accurate ab-initio configuration interaction and density functional approaches

G Fronzoni, M Stener, P Decleva, G De Alti

Journal:

Chemical Physics

Year:

1998

Language:

english

File:

PDF, 192 KB

english, 1998

34

2h-1p Correlation effects and virtual model spaces for the description of photoelectron spectra of complex molecules

P. Decleva, G. Fronzoni, G. De Alti, A. Lisini

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1989

Language:

english

File:

PDF, 1.35 MB

english, 1989

35

Theoretical study of the electronic structure and photoelectron spectra of Ni(CO)4, Co(CO)3NO, Fe(CO)2(NO)2, MnCO(NO)3 and Cr(NO)4

P. Decleva, G. Fronzoni, G. De Alti, A. Lisini

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1991

Language:

english

File:

PDF, 1.20 MB

english, 1991

36

Infra-red spectra and normal vibrations of bis-dimethylglyoximates of transition metals

A. Bigotto, G. Costa, V. Galasso, G. De Alti

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1970

Language:

english

File:

PDF, 731 KB

english, 1970

37

Infrared spectra of transition metal glyoximates

A. Bigotto, V. Galasso, G. De Alti

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1971

Language:

english

File:

PDF, 803 KB

english, 1971

38

Infrared spectra and normal vibrations of cobalt(II), nickel(II) and palladium(II) complexes with N,N'-ethylenebis(acetylacetoneimine)

A. Bigotto, V. Galasso, G. De Alti

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1972

Language:

english

File:

PDF, 803 KB

english, 1972

39

Infrared spectra of bis-(N-methylsalicylaldiminato)-copper(II), -nickel(II) and palladium(II)

A. Bigotto, G. De Alti

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1974

Language:

english

File:

PDF, 446 KB

english, 1974

40

MO studies for transition metal complexes with polydentate ligands. II. Electronic structure and related properties of FeII(Dmg)2L2 and CoIII(Dmg)2L2 complexes

G. De Alti, V. Galasso, A. Bigotto, G. Costa

Journal:

Inorganica Chimica Acta

Year:

1969

Language:

english

File:

PDF, 772 KB

english, 1969

41

MO studies for transition metal complexes with polydentate ligands. I. Investigation of parameter variations in the case of diammine-FeII -bisdimethylglyoximato complex

G. De Alti, V. Galasso, A. Bigotto

Journal:

Inorganica Chimica Acta

Year:

1969

Language:

english

File:

PDF, 673 KB

english, 1969

42

MO studies for transition metal complexes with polydentate ligands. III. Planar bisdimethylglyoximato complexes of FeII, CoII, CoIII, NiII, CuII, PdII, and PtII

G. De Alti, V. Galasso, A. Bigotto

Journal:

Inorganica Chimica Acta

Year:

1970

Language:

english

File:

PDF, 546 KB

english, 1970

43

MO studies for transition metal complexes with polydentate ligands. V. On the influence of the nature and arrangement of the donor atoms in NiII planar complexes

G. De Alti, V. Galasso, A. Bigotto

Journal:

Inorganica Chimica Acta

Year:

1972

Language:

english

File:

PDF, 409 KB

english, 1972

44

MO studies for transition metal complexes with polydentate ligands. IV. On the influence of the macrocycle size and conjugation extension in CoIII complexes

G. De Alti, V. Galasso, A. Bigotto

Journal:

Inorganica Chimica Acta

Year:

1972

Language:

english

File:

PDF, 617 KB

english, 1972

45

Superexchange in copper formate tetrahydrate and in anhydrous copper nitrate

G. Pellizer, G. De Alti

Journal:

Journal of Inorganic and Nuclear Chemistry

Year:

1967

Language:

english

File:

PDF, 232 KB

english, 1967

46

Xα calculations of ionization potentials of three-membered rings. A comparison with koopmans' theorem, green's function and ham/3 results

Giancarlo De Alti, Piero Decleva, Adriana Lisini

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1984

Language:

english

File:

PDF, 729 KB

english, 1984

47

A theoretical study of shake up structure of benzene and furan homologues

Giancarlo de Alti, Piero Decleva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1983

Language:

english

File:

PDF, 633 KB

english, 1983

48

Theoretical Study of Photoionization Processes in Fe(C 5 H 5 ) 2

Fronzoni, G., Colavita, P., Stener, M., De Alti, G., Decleva, P.

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 186 KB

english, 2001

49

Theoretical study of the valence and core photoemission spectra of C60

Colavita, P., De Alti, G., Fronzoni, G., Stener, M., Decleva, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 197 KB

english, 2001

50

Theoretical study of the valence photoelectron spectrum of ozone: An analysis of correlation effects and configuration interaction (CI) model spaces

Decleva, P., De Alti, G., Lisini, A.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 723 KB

english, 1988

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