• 6883 Citations
  • 32 h-Index
1972 …2015

Research output per year

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Research Output

  • 6883 Citations
  • 32 h-Index
  • 62 Article
  • 1 Letter
1972

Infrared dichroism of oriented crystalline films of hexamethylcyclotrisiloxane

Dobos, S., Fogarasi, G. & Castellucci, E., May 1972, In : Spectrochimica Acta Part A: Molecular Spectroscopy. 28, 5, p. 877-887 11 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
1973

The molecular structure of cyclic methylsiloxanes

Oberhammer, H., Zeil, W. & Fogarasi, G., Oct 1973, In : Journal of Molecular Structure. 18, 2, p. 309-318 10 p.

Research output: Contribution to journalArticle

52 Citations (Scopus)
1974

Vibrational spectra and conformation of cyclic methylsiloxanes

Fogarasi, G., Hacker, H., Hoffmann, V. & Dobos, S., Mar 1974, In : Spectrochimica Acta Part A: Molecular Spectroscopy. 30, 3, p. 629-639 11 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)
1976

The in-plane force field of nitryl fluoride

Molt, K., Sawodny, W., Pulay, P. & Fogarasi, G., Jul 1976, In : Molecular Physics. 32, 1, p. 169-176 8 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
1977

Ab initio hartree-fock calculation of the force constants and geometry of HNF2 and H2NF

Fogarasi, G., Pulay, P., Molt, K. & Sawodny, W., Jun 1977, In : Molecular Physics. 33, 6, p. 1565-1570 6 p.

Research output: Contribution to journalArticle

40 Citations (Scopus)

Investigation of frequency coupling in the IR spectra of 4H-pyrido(1,2a)pyrimidin-4-one derivatives

Horaváth, G., Pongor-Csákvári, M., Kiss, A. I., Fogarasi, G. & Pulay, P., 1977, In : Tetrahedron. 33, 17, p. 2293-2297 5 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Prediction of vibrational spectra by the CNDO/2 force method. Part III. In-plane vibrations of benzene

Fogarasi, G. & Pulay, P., Jul 1977, In : Journal of Molecular Structure. 39, 2, p. 275-280 6 p.

Research output: Contribution to journalArticle

60 Citations (Scopus)
1 Citation (Scopus)
1979
3 Citations (Scopus)

Systematic AB Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives

Pulay, P., Fogarasi, G., Pang, F. & Boggs, J. E., Jan 1 1979, In : Journal of the American Chemical Society. 101, 10, p. 2550-2560 11 p.

Research output: Contribution to journalArticle

1952 Citations (Scopus)

The geometry of some amides obtained from ab initio calculations

Fogarasi, G., Pulay, P., Török, F. & Boggs, J. E., 1979, In : Journal of Molecular Structure. 57, C, p. 259-270 12 p.

Research output: Contribution to journalArticle

76 Citations (Scopus)
1980

Ab inttio structural analysis of some saturated 3- and 4-membered rings

Skancke, P. N., Fogarasi, G. & Boggs, J. E., Feb 1980, In : Journal of Molecular Structure. 62, C, p. 259-273 15 p.

Research output: Contribution to journalArticle

87 Citations (Scopus)

Das Kraftfeld von SF4

Translated title of the contribution: The Force Field of SF4Sawodny, W., Birk, K., Fogarasi, G. & Christe, K. O., Sep 1 1980, In : Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences. 35, 9, p. 1137-1142 6 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)

The molecular structure of toluene

Pang, F., Boggs, J. E., Pulay, P. & Fogarasi, G., Jan 1 1980, In : Journal of Molecular Structure. 66, p. 281-287 7 p.

Research output: Contribution to journalArticle

67 Citations (Scopus)
1981
429 Citations (Scopus)

The general valence force field of perchloryl fluoride

Christe, K. O., Curtis, E. C., Sawodny, W., Härtner, H. & Fogarasi, G., 1981, In : Spectrochimica Acta Part A: Molecular Spectroscopy. 37, 7, p. 549-556 8 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
1982
5 Citations (Scopus)

Force field and vibrational assignment for cyclobutane from a combination of ab initio calculations and experimental data

Bánhegyi, G., Fogarasi, G. & Pulay, P., Sep 1982, In : Journal of Molecular Structure: THEOCHEM. 89, 1-2, p. 1-13 13 p.

Research output: Contribution to journalArticle

40 Citations (Scopus)
1983
19 Citations (Scopus)

Theoretical equilibrium geometry, vibrational frequencies and the first electronic transition energy of HCC

Fogarasi, G., Boggs, J. E. & Pulay, P., Sep 1983, In : Molecular Physics. 50, 1, p. 139-151 13 p.

Research output: Contribution to journalArticle

36 Citations (Scopus)

Theoretical force field and vibrational spectrum of maleimide by the CNDO/2 force method

Harsányi, L., Császár, P., Fogarasi, G., Horváth, G. & Szilágyi, I., Sep 1983, In : Journal of Molecular Structure: THEOCHEM. 104, 1-2, p. 79-89 11 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)
1984

Theoretical Prediction of Vibrational Spectra. 1. The In-Plane Force Field and Vibrational Spectra of Pyridine

Pongor, G., Pulay, P., Fogarasi, G. & Boggs, J. E., Oct 1984, In : Journal of the American Chemical Society. 106, 10, p. 2765-2769 5 p.

Research output: Contribution to journalArticle

129 Citations (Scopus)
1985
59 Citations (Scopus)

Scaled quantum mechanical (SQM) force field and vibrational assignment for cyclohexane

Mátrai, E., Császár, P., Fogarasi, G. & Gál, M., 1985, In : Spectrochimica Acta Part A: Molecular Spectroscopy. 41, 3, p. 425-433 9 p.

Research output: Contribution to journalArticle

16 Citations (Scopus)

Theoretical prediction of vibrational spectra: The out-of-plane force field and vibrational spectra of pyridine

Pongor, G., Fogarasi, G., Boggs, J. E. & Pulay, P., Dec 1985, In : Journal of Molecular Spectroscopy. 114, 2, p. 445-453 9 p.

Research output: Contribution to journalArticle

33 Citations (Scopus)
1986

Quantum chemical calculation of force constants and vibrational spectra

Fogarasi, G. & Pulay, P., Mar 1986, In : Journal of Molecular Structure. 141, C, p. 145-152 8 p.

Research output: Contribution to journalArticle

30 Citations (Scopus)
1987

Determination of an isotope-independent puckering potential function of oxetane

Szalay, V., Bánhegyi, G. & Fogarasi, G., Nov 1987, In : Journal of Molecular Spectroscopy. 126, 1, p. 1-12 12 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Scaled quantum mechanical (SQM) force field and vibrational assignment for hexatriene

Fogarasi, G., Szalay, P. G., Liescheski, P. P., Boggs, J. E. & Pulay, P., May 1987, In : Journal of Molecular Structure: THEOCHEM. 151, C, p. 341-354 14 p.

Research output: Contribution to journalArticle

33 Citations (Scopus)
1988
14 Citations (Scopus)
32 Citations (Scopus)
1989
59 Citations (Scopus)
35 Citations (Scopus)
1990

Ab initio prediction of vibrational spectra: A database approach

Pulay, P., Fogarasi, G., Zhou, X. & Taylor, P. W., Dec 14 1990, In : Vibrational Spectroscopy. 1, 2, p. 159-165 7 p.

Research output: Contribution to journalArticle

70 Citations (Scopus)

Ab initio prediction of vibrational spectra: a database approach

Pulay, P., Fogarasi, G., Zhou, X. & Taylor, P. W., Dec 1 1990, In : Analytica Chimica Acta. 240, 2, p. 159-165 7 p.

Research output: Contribution to journalArticle

An ab initio study of the structure and vibrational spectra of allyl and 1,4-pentadienyl radicals

Szalay, P. G., Császár, A. G., Fogarasi, G., Karpfen, A. & Lischka, H., Jan 1 1990, In : The Journal of Chemical Physics. 93, 2, p. 1246-1256 11 p.

Research output: Contribution to journalArticle

46 Citations (Scopus)
1992

Ab initio quantum mechanical calculation of the nitrogen chemical-shift tensor of the imine moiety of benzylideneaniline and analogs of all-trans-retinylidenebutylimine

Hinton, J. F., Guthrie, P. L., Pulay, P., Wolinski, K. & Fogarasi, G., Jan 1992, In : Journal of Magnetic Resonance (1969). 96, 1, p. 154-158 5 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Geometry optimization in redundant internal coordinates

Pulay, P. & Fogarasi, G., Jan 1 1992, In : The Journal of Chemical Physics. 96, 4, p. 2856-2860 5 p.

Research output: Contribution to journalArticle

260 Citations (Scopus)

The Calculation of ab Initio Molecular Geometries: Efficient Optimization by Natural Internal Coordinates and Empirical Correction by Offset Forces

Fogarasi, G., Zhou, X., Taylor, P. W. & Pulay, P., Oct 1 1992, In : Journal of the American Chemical Society. 114, 21, p. 8191-8201 11 p.

Research output: Contribution to journalArticle

852 Citations (Scopus)

The geometries of chlorobenzenes as obtained from ab initio calculations empirically corrected by offset forces

Zhou, X., Pulay, P. & Fogarasi, G., Dec 10 1992, In : Journal of Molecular Structure: THEOCHEM. 277, C, p. 147-160 14 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Theoretical prediction of vibrational spectra. The a priori scaled quantum mechanical (SQM) force field and vibrational spectra of pyrimidine

Pongor, G., Fogarasi, G., Magdó, I., Boggs, J. E., Keresztury, G. & Ignatyev, I. S., Jan 1992, In : Spectrochimica Acta Part A: Molecular Spectroscopy. 48, 1, p. 111-119 9 p.

Research output: Contribution to journalArticle

46 Citations (Scopus)
1993

A priori results for molecular geometry, scaled quantum mechanical (SQM) force field, and vibrational spectra of pyridazine

Bérces, A. R., Szalay, P. G., Magdó, I., Fogarasi, G. & Pongor, G., Jan 1 1993, In : Journal of physical chemistry. 97, 7, p. 1356-1363 8 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Building a database of force constants based on scaled ab initio (SQM) results. I. Chlorobenzenes

Zhou, X., Fogarasi, G., Liu, R. & Pulay, P., Sep 1993, In : Spectrochimica Acta Part A: Molecular Spectroscopy. 49, 10, p. 1499-1514 16 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Effect of nondynamical electron correlation on the geometries of conjugated π-systems

Fogarasi, G., Liu, R. & Pulay, P., Dec 1 1993, In : Journal of physical chemistry. 97, 16, p. 4036-4043 8 p.

Research output: Contribution to journalArticle

35 Citations (Scopus)
1994

Scaled quantum mechanical (SQM) force field and vibrational assignment for styrene

Hargitai, R., Szalay, P. G., Pongor, G. & Fogarasi, G., Apr 10 1994, In : Journal of Molecular Structure: THEOCHEM. 306, 2-3, p. 293-311 19 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)

The reliability of scaled quantum mechanical (SQM) force fields at the MINDO/3 level as studied on nitrogen- heteroaromatics

Magdó, I., Pongor, G. & Fogarasi, G., Jan 14 1994, In : Journal of Molecular Structure: THEOCHEM. 303, C, p. 243-253 11 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
1996
39 Citations (Scopus)
1997

High-level electron correlation calculations on formamide and the resonance model

Fogarasi, G. & Szalay, P. G., Feb 13 1997, In : Journal of Physical Chemistry A. 101, 7, p. 1400-1408 9 p.

Research output: Contribution to journalArticle

127 Citations (Scopus)

High-level electron correlation calculations on some tautomers of cytosine

Fogarasi, G., Sep 30 1997, In : Journal of Molecular Structure. 413-414, p. 271-278 8 p.

Research output: Contribution to journalArticle

60 Citations (Scopus)
20 Citations (Scopus)