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1

Molecular orbital calculations for the reaction fragment NSN

Laidlaw, W. G., Trsic, M.

Journal:

Inorganic Chemistry

Year:

1981

Language:

english

File:

PDF, 377 KB

english, 1981

2

Les fonctions de Hartree-Fock-Slater Comme Base Pour des Calculs de Perturbation À un Électron Pour Molécules. II. L'Advantage de la Formulation Dipôle Vitesse-Dipôle Longeur Pour la Polarisabilité de L'état Fondamental

M. Trsic, W. G. Laidlaw, T. Ziegler

Journal:

Bulletin des Sociétés Chimiques Belges

Year:

1976

File:

PDF, 142 KB

1976

3

The generator coordinate Hartree—Fock method for molecular systems. Near Hartree—Fock limit calculations for N2, CO and BF

H.F.M. da Costa, A.M. Simas, V.H. Smith Jr., M. Trsic

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 260 KB

english, 1992

4

Comparison of several expansions in the calculation of static electric dipole π polarizability of conjugated molecules by pertubation theory. The ground and the first excited singlet states

P. Matzke, O. Chacon, E. Sanhueza, M. Trsic

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 273 KB

english, 1972

5

Structure and properties of the sulfur dinitride dianion

Conti, M., Trsic, M., Laidlaw, W. G.

Journal:

Inorganic Chemistry

Year:

1986

Language:

english

File:

PDF, 380 KB

english, 1986

6

Les fonctions de Hartree–Fock–Slater comme base pour des calculs de perturbation à un électron pour molécules. III. Le calcul de la première hyperpolarisabilité

Trsic, M., Laidlaw, W. G.

Journal:

Canadian Journal of Chemistry

Year:

1978

File:

PDF, 196 KB

1978

7

On the application of the variational principle to a type of nonlinear ’’Schrödinger equation’’

Sanhueza, J. E., Tapia, O., Laidlaw, W. G., Trsic, M.

Journal:

The Journal of Chemical Physics

Year:

1979

Language:

english

File:

PDF, 427 KB

english, 1979

8

ESR Studies and Theoretical Calculations of a Radical Produced by X-Rays in 4-Hydroxy-2,2,6,6-tetramethylpiperidine

O. R. Nascimento, D. I. Moraes, R. Mercadante, R. H. A. Santos, M. Trsic, M. Tabak

Journal:

Magnetic Resonance in Chemistry

Year:

1996

Language:

english

File:

PDF, 788 KB

english, 1996

9

Generator coordinate Hartree–Fock method applied to the choice of a contracted Gaussian basis for the second-row atoms

J. C. Pinheiro, A. B. F. Da Silva, M. Trsic

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 153 KB

english, 1997

10

Hydrogen-type orbitals in terms of Gaussian functions

Herbert F. M. Dacosta, Milan Trsic, Alfredo M. Simas

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 197 KB

english, 1997

11

Z-scan studies and quantum chemical calculations of meso-tetrakis(p-sulfonatophenyl)porphyrin and meso-tetrakis(4-N-methyl-pyridiniumyl)porphyrin and their Fe(III) and Mn(III) complexes

I. E. Borissevitch, A. G. Bezerra- Jr,, A. S. L. Gomes, R. E. de Araújo, B. Cid de Araújo, K. M. T. Oliveira, M. Trsic

Journal:

Journal of Porphyrins and Phthalocyanines

Year:

2001

Language:

english

File:

PDF, 93 KB

english, 2001

12

Electric π dipole polarizabilities in the ground and first excited singlet states of N-retinylidene derivatives

Ll. Espinoza, M. Trsic, E. Sanhueza

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 189 KB

english, 1973

13

On the helium ground-state Hartree-Fock energy

R. Celeste, H.F.M. da Costa, A.B.F. da Silva, M. Trsic

Journal:

Chemical Physics Letters

Year:

1991

Language:

english

File:

PDF, 197 KB

english, 1991

14

The electronic structure of metallated phthalocyanine—NO2 adducts

R. Rousseau, A. Ozarowski, R. Aroca, L. de A. Soares II, M. Trsic

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 748 KB

english, 1994

15

Hartree—Fock—Slater functions as basis for one-electron perturbation calculations for molecules: I. Calculation of ground state electric dipole polarizabilities

M. Trsic, T. Ziegler, W.G. Laidlaw

Journal:

Chemical Physics

Year:

1976

Language:

english

File:

PDF, 554 KB

english, 1976

16

Application of the ab initio Hartree-Fock-Slater method to the calculation of molecular conformations: Ozone and thiozone

W.G. Laidlaw, M. Trsic

Journal:

Chemical Physics

Year:

1979

Language:

english

File:

PDF, 219 KB

english, 1979

17

The generator coordinate Hartree-Fock method for molecular systems. Formalism and first applications to H2, LiH and Li2

H.F.M. da Costa, A.B.F. da Silva, J.R. Mohallem, A.M. Simas, M. Trsic

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 483 KB

english, 1991

18

The molecular orbital description of the trisulfur trinitride anion

T. Chivers, W.G. Laidlaw, R.T. Oakley, M. Trsic

Journal:

Inorganica Chimica Acta

Year:

1981

Language:

english

File:

PDF, 197 KB

english, 1981

19

Conformation, electronic structure and lectronic spectrum of the 1,2,3,4-thiatriazole-5-thiolate (CS2N3−) anion and HCS2N3 acid

M. Conti, D.W. Franco, M. Trsic

Journal:

Inorganica Chimica Acta

Year:

1986

Language:

english

File:

PDF, 414 KB

english, 1986

20

Molecular orbital calculations, experimental and theoretical UV spectra of granulatimides and didemnimides, biologically active polycyclic heteroaromatic alkaloids from the ascidian Didemnum granulatum

A.J Camargo, J.H.H.L Oliveira, M Trsic, R.G.S Berlinck

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 562 KB

english, 2001

21

A correlation between geometric features and analgesic activity for a series of cannabinoid compounds

Saulo L. da Silva, Agnaldo Arroio, Albérico B.F. da Silva, Milan Trsic

Journal:

Journal of Molecular Structure

Year:

1998

Language:

english

File:

PDF, 230 KB

english, 1998

22

The generator coordinate method in the unrestricted Hartree-Fock formalism

W. F. D. Angelotti, R. L. A. Haiduke, M. Trsic

Journal:

International Journal of Quantum Chemistry

Year:

2012

Language:

english

File:

PDF, 289 KB

english, 2012

23

Singlet and triplet excited state electric dipole polarizabilities of conjugated hydrocarbons

M. Trsic, J. E. Sanhueza, Ll. Espinoza

Journal:

International Journal of Quantum Chemistry

Year:

1976

Language:

english

File:

PDF, 403 KB

english, 1976

24

Geometric approximation for molecular polarizabiities

G. Howat, M. Trsic, O. Goscinski

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 474 KB

english, 1977

25

Differential scaling of σ and π orbitals, and the geometric approximation for molecular polarizabilities

G. Howat, M. Trsic, O. Goscinski

Journal:

International Journal of Quantum Chemistry

Year:

1977

Language:

english

File:

PDF, 123 KB

english, 1977

26

Ab initio Hartree–Fock–Slater calculations of polysulfanes H2Sn (n = 1–4) and the ions HS and S

M. Trsic, W. G. Laidlaw

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 292 KB

english, 1980

27

Ab initio Hartree–Fock–Slater calculation of Tetrathiafulvalene (TTF) and the TTF1+ and TTF2+ ions

M. Trsic, W. G. Laidlaw

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 364 KB

english, 1982

28

Electronic structure and bonding of the pentasulfur hexanitride (S5N6) molecule

Milan Trsic, Kim Wagstaff, William G. Laidlaw

Journal:

International Journal of Quantum Chemistry

Year:

1982

Language:

english

File:

PDF, 417 KB

english, 1982

29

The use of the hartree–fock–slater eigenvalues to estimate excitation and ionization energies in sulfur–nitrogen compounds

M. Trsic, W. G. Laidlaw

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 222 KB

english, 1983

30

A Griffin–Hill–Wheeler version of the Hartree–Fock equations

J. R. Mohallem, R. M. Dreizler, M. Trsic

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 344 KB

english, 1986

31

A Griffin–Hill–Wheeler version of the Hartree–Fock equations

J. R. Mohallem, R. M. Dreizler, M. Trsic

Journal:

International Journal of Quantum Chemistry

Year:

1987

File:

PDF, 34 KB

1987

32

Considerations on Gaussian expanded generator coordinate wave functions

José R. Mohallem, Milan Trsic

Journal:

International Journal of Quantum Chemistry

Year:

1988

Language:

english

File:

PDF, 324 KB

english, 1988

33

Illustration of the generator coordinate method in terms of model problems

P. Chattopadhyay, R. M. Dreizler, M. Trsic, M. Fink

Journal:

Zeitschrift für Physik A Hadrons and Nuclei

Year:

1978

Language:

english

File:

PDF, 741 KB

english, 1978

34

A case of analytical solution of the Griffin-Hill-Wheeler equation: The ground state of the hydrogen atom with a Gaussian Generator function

J. R. Mohallem, M. Trsic

Journal:

Zeitschrift für Physik A Hadrons and Nuclei

Year:

1985

Language:

english

File:

PDF, 180 KB

english, 1985

35

On the implicit integral character of Roothaan's expansion

H.F.M. DaCosta, M. Trsic, A.B.F. da Silva, A.M. Simas

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

1999

Language:

english

File:

PDF, 285 KB

english, 1999

36

Electronic structures and electronic spectra of the linkage isomers NSO− and SNO−

Tristram Chivers, Alberico B.F. Da Silva, Oswaldo Treu Jr., Milan Trsic

Journal:

Journal of Molecular Structure

Year:

1987

Language:

english

File:

PDF, 442 KB

english, 1987

37

Theoretical and conformational studies of a series of cannabinoids

Albérico B.F Da Silva, Milan Trsic

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 464 KB

english, 1995

38

Electronic spectra of metal phthalocyanines and configuration interaction ZINDO calculations for tetra-azaporphyrin complexes with the first transition metal series

L. de A. Soares II, M. Trsic, Bob Berno, Ricardo Aroca

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

1996

Language:

english

File:

PDF, 520 KB

english, 1996

39

A quantum chemical study on a set of non-imidazole H3 antihistamine molecules

Edson Barbosa da Costa, Milan Trsic

Journal:

Journal of Molecular Graphics and Modelling

Year:

2010

Language:

english

File:

PDF, 426 KB

english, 2010

40

Vibrational Spectra and Ion-Pair Properties of Lithium Hexafluorophosphate in Ethylene Carbonate Based Mixed-Solvent Systems for Lithium Batteries

R. Aroca, M. Nazri, G. A. Nazri, A. J. Camargo, M. Trsic

Journal:

Journal of Solution Chemistry

Year:

2000

Language:

english

File:

PDF, 315 KB

english, 2000

41

Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives

M. M. Torres Moreno, R. H. A. Santos, M. T. P. Gambardella, A. J. Camargo, A. B. F. da Silva, M. Trsic

Journal:

Structural Chemistry

Year:

1998

Language:

english

File:

PDF, 517 KB

english, 1998

42

A Structure-Activity Relationship Study of Lapachol and Some Derivatives of 1,4-Naphthoquinones Against Carcinosarcoma Walker 256

S. Subramanian, M. M. C. Ferreira, M. Trsic

Journal:

Structural Chemistry

Year:

1998

Language:

english

File:

PDF, 983 KB

english, 1998

43

Crystal, molecular, and electronic structure of tetrasulfur dinitride, S4N2

Chivers, T., Codding, P. W., Laidlaw, W. G., Liblong, S. W., Oakley, Richard T., Trsic, M.

Journal:

Journal of the American Chemical Society

Year:

1983

Language:

english

File:

PDF, 880 KB

english, 1983

44

Generator coordinate gaussian expanded natural orbitals

H.F.M. Da Costa, A.B.F. Da Silva, M. Trsic, A.M. Simas, A.J.A. Aquino

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1990

Language:

english

File:

PDF, 436 KB

english, 1990

45

A quantum chemical study on the psychoactivity of cannabinoid compounds

K.M Honório, L.G Freitas, M Trsic, A.B.F da Silva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 115 KB

english, 2001

46

Comparative theoretical study of the electronic structures and electronic spectra of Fe2+-, Fe+3-porphyrin and free base porphyrin

K.M.T. Oliveira, M. Trsic

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 232 KB

english, 2001

47

Contracted Gaussian bases for the first-row atoms applied to neutral and charged diatomic molecules

J.C. Pinheiro, M. Trsic, A.B.F. da Silva

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 94 KB

english, 2001

48

The generator coordinate Hartree-Fock method applied to the choice of a contracted gaussian basis for first-row atoms

J.C. Pinheiro, A.B.F. da Silva, M. Trsic

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 657 KB

english, 1997

49

Molecular orbital calculations of perylenetetracarboxylic monoimide and bisimide. Alkyl derivatives and heteroatom analogs

Ricardo Mercadante, Milan Trsic, Jim Duff, Ricardo Aroca

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 565 KB

english, 1997

50

Semi-empirical quantum chemical study of the formation of dimers of free base porphyrin, Mn-porphyrin and oxo–Mn-porphyrin

Kelson Mota T. Oliveira, Milan Trsic

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1999

Language:

english

File:

PDF, 140 KB

english, 1999