G. Pongor

发表

Direct inversion in the spectral subspace: A novel method for quantitative and qualitative analysis of chemical mixtures

J. Rohonczy, G. Pongor, János Eőri, 2010 .

Vibrational analysis of 2-nitrophenol. A joint FT-IR, FT-Raman and scaled quantum mechanical study

G. Keresztury, G. Pongor, V. Izvekov, 1998 .

Non-normalized version of the Direct Inversion in the Spectral Subspace method. A new formulation of the method without Lagrangian

G. Pongor, János Eőri, Z. Kolos, 2017 .

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

G. Fogarasi, G. Pongor, I. Magdó, 1994 .

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

G. Fogarasi, J. E. Boggs, G. Keresztury, 1992 .

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

G. Fogarasi, P. Szalay, G. Pongor, 1987 .

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

P. Pulay, G. Fogarasi, J. E. Boggs, 1985 .

Structural and vibrational study of isochroman

A. Navarro, G. Pongor, J. J. L. González, 2005 .

Pseudo-pentacoordination in silylcarbamates: structure-based prediction of silylating power

G. Pongor, Z. Kolos, R. Szalay, 2005 .

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

G. Fogarasi, P. Szalay, A. Bérces, 1993 .

Strong influence of intramolecular Si...O proximity on reactivity: Systematic molecular structure, solvolysis, and mechanistic study of cyclic N-trimethylsilyl carboxamide derivatives

G. Pongor, János Eőri, V. Harmat, 2017 .

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Peter Pulay, James E. Boggs, P. Pulay, 1983 .

Surprisingly great difference in reactivity depending upon the ring size: Solvolysis and molecular structure study of some N-trimethylsilylated cyclic ureas

G. Pongor, Z. Böcskei, V. Harmat, 2005 .

Harmonic force field: An approximate relationship between the exact nonrelativistic and the Hartree-Fock limit values of the force constants

Charles W. Bock, Vladimir I. Pupyshev, C. Bock, 1991 .

THEORETICAL PREDICTION OF VIBRATIONAL SPECTRA. 1. THE In-PLANE FORCE FIELD AND VIBRATIONAL SPECTRA OF PYRIDINE.

P. Pulay, G. Fogarasi, J. E. Boggs, 1984 .

Molecular structure, conformational preferences and vibrational analysis of 2-hydroxystyrene: A computational and spectroscopic research

Gregorio García, J. M. Granadino-Roldán, A. Garzón, 2010 .

Nω-arginine dimethylation modulates the interaction between a Gly/Arg-rich peptide from human nucleolin and nucleic acids

S. Pongor, C. Acatrinei, K. Nadassy, 2001 .

N(omega)-arginine dimethylation modulates the interaction between a Gly/Arg-rich peptide from human nucleolin and nucleic acids.

S. Pongor, C. Acatrinei, K. Nadassy, 2001, Nucleic Acids Research.

Extension of the density functional derived scaled quantum mechanical force field procedure.

G. Pongor, F. Kalincsák, 2002, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Combination of Theoretical ab Initio and Experimental Information To Obtain Reliable Harmonic Force Constants. Scaled Quantum Mechanical (SQM) Force Fields for Glyoxal, Acrolein, Butadiene, Formaldehyde, and Ethylene.

P. Pulay, J. E. Boggs, G. Pongor, 1984 .

Fitting-free curve resolution of spectroscopic data: Chemometric and physical chemical viewpoints.

H. Abdollahi, R. Rajkó, G. Pongor, 2015, Analytica chimica acta.

Internal coordinates and orthogonality: features of the pseudoinverse of the Eliashevich–Wilsonian B-matrix

G. Pongor, F. Kalincsák, 2015, Theoretical Chemistry Accounts.

An application of the DFT-based scaled quantum mechanical force field method to a weakly bonded system: N2O4

G. Pongor, K. B. Borisenko, A. Kovács, 1997 .