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Results:
1-22
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Results: 22
Authors:
FARKAS O
SCHLEGEL HB
Citation: O. Farkas et Hb. Schlegel, METHODS FOR GEOMETRY OPTIMIZATION OF LARGE MOLECULES - I - AN O(N-2) ALGORITHM FOR SOLVING SYSTEMS OF LINEAR-EQUATIONS FOR THE TRANSFORMATION OF COORDINATES AND FORCES, The Journal of chemical physics, 109(17), 1998, pp. 7100-7104
Authors:
FOGGIN PM
FARKAS O
SHIIREVADIYA S
CHINBAT B
Citation: Pm. Foggin et al., HEALTH-STATUS AND RISK-FACTORS OF SEMINOMADIC PASTORALISTS IN MONGOLIA - A GEOGRAPHICAL APPROACH, Social science & medicine, 44(11), 1997, pp. 1623-1647
Authors:
JALSOVSZKY I
FARKAS O
KUCSMAN A
Citation: I. Jalsovszky et al., TRANSANNULAR SULFUR-NITROGEN INTERACTIONS IN STEREOISOMERIC 1,5-THIAZOCINE DERIVATIVES - AN AB-INITIO MO STUDY, Journal of molecular structure. Theochem, 418(2-3), 1997, pp. 155-163
Authors:
ENDREDI G
PERCZEL A
FARKAS O
MCALLISTER MA
CSONKA GI
LADIK J
CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .15. THE EFFECT OF BASIS-SET SIZE INCREASE AND ELECTRON CORRELATION ON SELECTED MINIMA OF THE AB-INITIO 2D-RAMACHANDRAN MAP OF FOR-GLY-NH2 AND FOR-L-ALA-NH2, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 15-26
Authors:
PERCZEL A
FARKAS O
MARCOCCIA JF
CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .14. AB-INITIO STUDY ON THE ROLE OF SIDE-CHAIN BACKBONE INTERACTION STABILIZING THE BUILDING UNIT OF RIGHT-HANDED AND LEFT-HANDED HELICES IN PEPTIDES AND PROTEINS, International journal of quantum chemistry, 61(5), 1997, pp. 797-814
Authors:
PERCZEL A
FARKAS O
CSASZAR AG
CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .20. AROMATIC SIDE-CHAIN - BACKBONE INTERACTION IN PHENYLALANINE-CONTAINING DIAMIDE MODEL SYSTEM - A SYSTEMATIC SEARCH FOR THE IDENTIFICATION OF ALL THE AB-INITIO CONFORMERS OF N-FORMYL-L-PHENYLALANINE-AMIDE, Canadian journal of chemistry, 75(8), 1997, pp. 1120-1130
Authors:
PERCZEL A
FARKAS O
CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .16. THE IDENTIFICATION OF SELECTED HCO-L-SER-NH2 CONFORMERS VIA A SYSTEMATIC GRID SEARCH USING AB-INITIO POTENTIAL-ENERGY SURFACES, Journal of computational chemistry, 17(7), 1996, pp. 821-834
Authors:
FARKAS O
MCALLISTER MA
MA JH
PERCZEL A
HOLLOSI M
CSIZMADIA IG
Citation: O. Farkas et al., PEPTIDE MODELS .19. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=F((CHI-1,CHI-2)) AND AMIDE-I VIBRATIONAL FREQUENCIES OF N-FORMYL-L-PHENYLALANINAMIDE (FOR-PHE-NH2) IN ITS GAMMA(L) OR GAMMA(INV) OR C-7(EQ) BACKBONE CONFORMATION, Journal of molecular structure. Theochem, 369, 1996, pp. 105-114
Authors:
FARKAS O
SALPIETRO SJ
CSASZAR P
CSIZMADIA IG
Citation: O. Farkas et al., CONFORMATIONS OF ETHYLBENZENE (CH3-CH2-PH) - AN AB-INITIO STUDY, Journal of molecular structure. Theochem, 367, 1996, pp. 25-31
Authors:
JALSOVSZKY I
FARKAS O
RABAI J
KUCSMAN A
Citation: I. Jalsovszky et al., THE EXTENT OF TRANSANNULAR SULFUR-NITROGEN INTERACTIONS IN STEREOISOMERIC 1,5-THIAZOCINE DERIVATIVES - A SEMIEMPIRICAL MO STUDY, Journal of molecular structure. Theochem, 365(2-3), 1996, pp. 93-102
Authors:
PERJESI P
SOHAR P
BOCSKEI Z
MAGYARFALVI G
FARKAS O
MAK M
Citation: P. Perjesi et al., SYNTHESIS, STRUCTURE AND CONFORMATIONAL-ANALYSIS OF IMIDAZO-THIAZINES, Journal of molecular structure, 377(3), 1996, pp. 277-288
Authors:
PERCZEL A
FARKAS O
CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .18. HYDROXYMETHYL SIDE-CHAIN INDUCED BACKBONE CONFORMATIONAL SHIFTS OF L-SERINE AMIDE - ALL AB-INITIO CONFORMERS OF FOR-L-SER-NH2, Journal of the American Chemical Society, 118(33), 1996, pp. 7809-7817
Authors:
KADAS K
FARKAS O
NARAYSZABO G
Citation: K. Kadas et al., ELECTROSTATICS OF THE SI(111) SURFACE - A SEMIEMPIRICAL AM1 STUDY, ACH, models in chemistry, 132(1-2), 1995, pp. 125-135
Authors:
FUXREITER M
FARKAS O
NARAYSZABO G
Citation: M. Fuxreiter et al., MOLECULAR MODELING OF XYLOSE ISOMERASE CATALYSIS - THE ROLE OF ELECTROSTATICS AND CHARGE-TRANSFER TO METALS, Protein engineering, 8(9), 1995, pp. 925-933
Authors:
PERCZEL A
ENDREDI G
MCALLISTER MA
FARKAS O
CSASZAR P
LADIK J
CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .7. THE ENDING OF THE RIGHT-HANDED HELICES IN OLIGOPEPTIDES [FOR-(ALA)(N)-NH2 FOR 2-LESS-THAN-OR-EQUAL-TO-N-LESS-THAN-OR-EQUAL-TO-4] AND IN PROTEINS, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 5-10
Authors:
ENDREDI G
MCALLISTER MA
FARKAS O
PERCZEL A
LADIK J
CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .12. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 8D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-(L-ALA)(4)-NHME AND FOR-(L-ALA)(4)-NH2, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 11-26
Authors:
FARKAS O
PERCZEL A
MARCOCCIA JF
HOLLOSI M
CSIZMADIA IG
Citation: O. Farkas et al., PEPTIDE MODELS .13. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=E(CHI(1), CHI(2)) OF N-FORMYL-L-SERINAMIDE (FOR-L-SER-NH2) IN ITS GAMMA(L) OR C-7(EQ) BACKBONE CONFORMATION, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 27-36
Authors:
PERCZEL A
FARKAS O
CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .17. THE ROLE OF THE WATER MOLECULE IN PEPTIDE FOLDING- AN AB-INITIO STUDY ON THE RIGHT-HANDED HELICAL CONFORMATIONS OF N-FORMYLGLYCINAMIDE AND N-FORMYL-L-ALANINAMIDE MONOHYDRATES [H(CONH-CHR-CONH)H-CENTER-DOT-H2O, R=H OR CH3], Journal of the American Chemical Society, 117(5), 1995, pp. 1653-1654
Authors:
CHEUNG M
MCGOVERN ME
JIN T
ZHAO DC
MCALLISTER MA
FARKAS O
PERCZEL A
CSASZAR P
CSIZMADIA IG
Citation: M. Cheung et al., PEPTIDE MODELS .10. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 6D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-L-ALA-L-ALA-L-ALA-NHME AND FOR-L-ALA-L-ALA-L-ALA-NH2, Journal of molecular structure. Theochem, 115(2), 1994, pp. 151-224
Authors:
PALLAGI I
TORO A
FARKAS O
Citation: I. Pallagi et al., MECHANISM OF THE GIBBS REACTION .3. INDOPHENOL FORMATION VIA RADICAL ELECTROPHILIC AROMATIC-SUBSTITUTION (SREAR) ON PHENOLS, Journal of organic chemistry, 59(22), 1994, pp. 6543-6557
Authors:
FARKAS O
PERCZEL A
SZOKAN G
HOLLOSI M
KAJTAR M
Citation: O. Farkas et al., AN EXPLORATORY-STUDY ON THE OXO ENOL TAUTOMERIZATION OF SELECTED DIOXOPIPERAZINES AND THEIR SULFUR-CONTAINING ANALOGS, Journal of molecular structure. Theochem, 105, 1993, pp. 131-148
Authors:
CZUGLER M
KALMAN A
KAJTARPEREDY M
KOLLAT E
KAJTAR J
MAJER Z
FARKAS O
HOLLOSI M
Citation: M. Czugler et al., REVERSE TURN CONFORMATION OF N-THIOACETYL THIOPROLYL GLYCINE N'-METHYLAMIDE IN THE CRYSTAL AND IN SOLUTION, Tetrahedron, 49(30), 1993, pp. 6661-6668
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