AAAAAA

   
Results: 1-25 | 26-50 | 51-71
Results: 1-25/71
ELECTRONIC EXCITATIONS IN AGGREGATES OF BACTERIOCHLOROPHYLLS
Authors: CORY MG ZERNER MC XU XC SHULTEN K
Citation: Mg. Cory et al., ELECTRONIC EXCITATIONS IN AGGREGATES OF BACTERIOCHLOROPHYLLS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(39), 1998, pp. 7640-7650
FOURIER-TRANSFORM ION-CYCLOTRON RESONANCE MASS-SPECTROMETRY AND THEORETICAL-STUDIES OF GAS-PHASE S(N)2 NUCLEOPHILIC-SUBSTITUTION REACTIONS AT SP(3)-CARBON ATOMS
Authors: KATRITZKY AR BURTON RD QI MN SHIPKOVA PA WATSON CH DEGASZAFRAN Z EYLER JR KARELSON M MARAN U ZERNER MC
Citation: Ar. Katritzky et al., FOURIER-TRANSFORM ION-CYCLOTRON RESONANCE MASS-SPECTROMETRY AND THEORETICAL-STUDIES OF GAS-PHASE S(N)2 NUCLEOPHILIC-SUBSTITUTION REACTIONS AT SP(3)-CARBON ATOMS, Perkin transactions. 2, (4), 1998, pp. 825-833
THEORETICAL NEAR UV AND VIS ELECTRONIC-SPECTRA FOR THE ZN-II-ANHYDROTETRACYCLINE COMPLEX
Authors: DOSSANTOS HF DEALMEIDA WB ZERNER MC
Citation: Hf. Dossantos et al., THEORETICAL NEAR UV AND VIS ELECTRONIC-SPECTRA FOR THE ZN-II-ANHYDROTETRACYCLINE COMPLEX, Journal of the Chemical Society. Perkin transactions. II (Print), (11), 1998, pp. 2519-2525
THEORETICAL-STUDIES OF METAL-COMPLEXES OF ANHYDROTETRACYCLINE - INTERACTION WITH ZN-II
Authors: DEALMEIDA WB DOSSANTOS HF ROCHA WR ZERNER MC
Citation: Wb. Dealmeida et al., THEORETICAL-STUDIES OF METAL-COMPLEXES OF ANHYDROTETRACYCLINE - INTERACTION WITH ZN-II, Journal of the Chemical Society. Dalton transactions, (15), 1998, pp. 2531-2536
METHOD OF CALCULATING BAND SHAPE FOR MOLECULAR ELECTRONIC-SPECTRA
Authors: PEARL GM ZERNER MC BROO A MCKELVEY J
Citation: Gm. Pearl et al., METHOD OF CALCULATING BAND SHAPE FOR MOLECULAR ELECTRONIC-SPECTRA, Journal of computational chemistry, 19(7), 1998, pp. 781-796
A THEORETICAL-STUDY OF THE INTERACTION OF ANHYDROTETRACYCLINE WITH AL(III)
Authors: DEALMEIDA WB DOSSANTOS HF ZERNER MC
Citation: Wb. Dealmeida et al., A THEORETICAL-STUDY OF THE INTERACTION OF ANHYDROTETRACYCLINE WITH AL(III), Journal of pharmaceutical sciences, 87(9), 1998, pp. 1101-1108
CONFORMATIONAL-ANALYSIS OF THE ANHYDROTETRACYCLINE MOLECULE - A TOXICDECOMPOSITION PRODUCT OF TETRACYCLINE
Authors: DOSSANTOS HF DEALMEIDA WB ZERNER MC
Citation: Hf. Dossantos et al., CONFORMATIONAL-ANALYSIS OF THE ANHYDROTETRACYCLINE MOLECULE - A TOXICDECOMPOSITION PRODUCT OF TETRACYCLINE, Journal of pharmaceutical sciences, 87(2), 1998, pp. 190-195
CRYSTAL HELD AND MOLECULAR-ORBITAL CALCULATION OF THE OPTICAL-TRANSITIONS IN CE DOPED ALKALINE-EARTH SULFIDE (MGS, CAS, SRS, AND BAS) PHOSPHORS
Authors: OBRIEN TA RACK PD HOLLOWAY PH ZERNER MC
Citation: Ta. Obrien et al., CRYSTAL HELD AND MOLECULAR-ORBITAL CALCULATION OF THE OPTICAL-TRANSITIONS IN CE DOPED ALKALINE-EARTH SULFIDE (MGS, CAS, SRS, AND BAS) PHOSPHORS, Journal of luminescence, 78(4), 1998, pp. 245-257
PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON THE APPLICATION OF FUNDAMENTAL THEORY TO PROBLEMS OF BIOLOGY AND PHARMACOLOGY - HELD AT PONCE-DE-LEON-RESORT, ST.-AUGUSTINE, FLORIDA, FEBRUARY 21-27, 1998 - INTRODUCTION
Authors: OHRN NY SABIN JR ZERNER MC
Citation: Ny. Ohrn et al., PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON THE APPLICATION OF FUNDAMENTAL THEORY TO PROBLEMS OF BIOLOGY AND PHARMACOLOGY - HELD AT PONCE-DE-LEON-RESORT, ST.-AUGUSTINE, FLORIDA, FEBRUARY 21-27, 1998 - INTRODUCTION, International journal of quantum chemistry, 70(6), 1998, pp. 1099-1099
STUDIES ON THE HYDROGENATION STEPS OF THE NITROGEN MOLECULE AT THE AZOTOBACTER-VINELANDII NITROGENASE SITE
Authors: STAVREV KK ZERNER MC
Citation: Kk. Stavrev et Mc. Zerner, STUDIES ON THE HYDROGENATION STEPS OF THE NITROGEN MOLECULE AT THE AZOTOBACTER-VINELANDII NITROGENASE SITE, International journal of quantum chemistry, 70(6), 1998, pp. 1159-1168
PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON ATOMIC, MOLECULAR, AND CONDENSED MATTER THEORY HELD AT PONCE-DE-LEON-RESORT, ST.-AUGUSTINE, FLORIDA, FEBRUARY 21-27, 1998 - INTRODUCTION
Authors: OHRN NY SABIN JR ZERNER MC
Citation: Ny. Ohrn et al., PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON ATOMIC, MOLECULAR, AND CONDENSED MATTER THEORY HELD AT PONCE-DE-LEON-RESORT, ST.-AUGUSTINE, FLORIDA, FEBRUARY 21-27, 1998 - INTRODUCTION, International journal of quantum chemistry, 70(4-5), 1998, pp. 529-529
MOLECULAR DIMENSIONS FOR ADSORPTIVES
Authors: WEBSTER CE DRAGO RS ZERNER MC
Citation: Ce. Webster et al., MOLECULAR DIMENSIONS FOR ADSORPTIVES, Journal of the American Chemical Society, 120(22), 1998, pp. 5509-5516
ON THE REDUCED AND OXIDIZED FORMS OF THE FEMO-COFACTOR OF AZOTOBACTER-VINELANDII NITROGENASE
Authors: STAVREV KK ZERNER MC
Citation: Kk. Stavrev et Mc. Zerner, ON THE REDUCED AND OXIDIZED FORMS OF THE FEMO-COFACTOR OF AZOTOBACTER-VINELANDII NITROGENASE, Theoretical chemistry accounts, 96(3), 1997, pp. 141-145
DEVELOPMENT OF A HYBRID QUANTUM-CHEMICAL AND MOLECULAR MECHANICS METHOD WITH APPLICATION TO SOLVENT EFFECTS ON THE ELECTRONIC-SPECTRA OF URACIL AND URACIL DERIVATIVES
Authors: BROO A PEARL G ZERNER MC
Citation: A. Broo et al., DEVELOPMENT OF A HYBRID QUANTUM-CHEMICAL AND MOLECULAR MECHANICS METHOD WITH APPLICATION TO SOLVENT EFFECTS ON THE ELECTRONIC-SPECTRA OF URACIL AND URACIL DERIVATIVES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(13), 1997, pp. 2478-2488
QUANTUM-MECHANICS AND MOLECULAR MECHANICS STUDIES OF THE LOW-ENERGY CONFORMATIONS OF 9-CROWN-3
Authors: ANDERSON WP BEHM P GLENNON TM ZERNER MC
Citation: Wp. Anderson et al., QUANTUM-MECHANICS AND MOLECULAR MECHANICS STUDIES OF THE LOW-ENERGY CONFORMATIONS OF 9-CROWN-3, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(10), 1997, pp. 1920-1926
A THEORETICAL INVESTIGATION OF THE NEAR UV AND VIS ELECTRONIC-SPECTRAFOR THE FULLY DEPROTONATED FORMS OF ANHYDROTETRACYCLINE
Authors: DEALMEDIA WB COSTA LRA DOSSANTOS HF ZERNER MC
Citation: Wb. Dealmedia et al., A THEORETICAL INVESTIGATION OF THE NEAR UV AND VIS ELECTRONIC-SPECTRAFOR THE FULLY DEPROTONATED FORMS OF ANHYDROTETRACYCLINE, Perkin transactions. 2, (7), 1997, pp. 1335-1339
MAGNETO-INFRARED SPECTRA OF MATRIX-ISOLATED NIH AND NIH2 MOLECULES AND THEORETICAL CALCULATIONS OF THE LOWEST ELECTRONIC STATES OF NIH2
Authors: LI S VANZEE J WELTNER W CORY MG ZERNER MC
Citation: S. Li et al., MAGNETO-INFRARED SPECTRA OF MATRIX-ISOLATED NIH AND NIH2 MOLECULES AND THEORETICAL CALCULATIONS OF THE LOWEST ELECTRONIC STATES OF NIH2, The Journal of chemical physics, 106(6), 1997, pp. 2055-2059
PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON THE APPLICATION OF FUNDAMENTAL THEORY TO PROBLEMS OF BIOLOGY AND PHARMACOLOGY - HELD AT PONCE-DE-LEON-RESORT, ST. AUGUSTINE, FLORIDA, MARCH 1-7, 1997 - INTRODUCTION
Authors: OHRN NY SABIN JR ZERNER MC
Citation: Ny. Ohrn et al., PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON THE APPLICATION OF FUNDAMENTAL THEORY TO PROBLEMS OF BIOLOGY AND PHARMACOLOGY - HELD AT PONCE-DE-LEON-RESORT, ST. AUGUSTINE, FLORIDA, MARCH 1-7, 1997 - INTRODUCTION, International journal of quantum chemistry, 65(6), 1997, pp. 1031-1031
PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON - ATOMIC, MOLECULAR ANDCONDENSED MATTER THEORY AND COMPUTATIONAL METHODS - HELD AT PONCE-DE-LEON-RESORT, ST.-AUGUSTINE, FLORIDA, MARCH 1 MARCH 7, 1997 - INTRODUCTION
Authors: OHRN NY SABIN JR ZERNER MC
Citation: Ny. Ohrn et al., PROCEEDINGS OF THE INTERNATIONAL-SYMPOSIUM ON - ATOMIC, MOLECULAR ANDCONDENSED MATTER THEORY AND COMPUTATIONAL METHODS - HELD AT PONCE-DE-LEON-RESORT, ST.-AUGUSTINE, FLORIDA, MARCH 1 MARCH 7, 1997 - INTRODUCTION, International journal of quantum chemistry, 65(5), 1997, pp. 377-377
SPIN-AVERAGED HARTREE-FOCK PROCEDURE FOR SPECTROSCOPIC CALCULATIONS -THE ABSORPTION-SPECTRUM OF MN2+ IN ZNS CRYSTALS
Authors: STAVREV KK ZERNER MC
Citation: Kk. Stavrev et Mc. Zerner, SPIN-AVERAGED HARTREE-FOCK PROCEDURE FOR SPECTROSCOPIC CALCULATIONS -THE ABSORPTION-SPECTRUM OF MN2+ IN ZNS CRYSTALS, International journal of quantum chemistry, 65(5), 1997, pp. 877-884
CALCULATION OF THE ABSORPTION-SPECTRUM OF BENZENE IN CONDENSED-PHASE - A STUDY OF THE SOLVENT EFFECTS
Authors: COUTINHO K CANUTO S ZERNER MC
Citation: K. Coutinho et al., CALCULATION OF THE ABSORPTION-SPECTRUM OF BENZENE IN CONDENSED-PHASE - A STUDY OF THE SOLVENT EFFECTS, International journal of quantum chemistry, 65(5), 1997, pp. 885-891
AN EXAMINATION OF THE ELECTRONIC-STRUCTURE AND SPECTROSCOPY OF HIGH-SPIN AND LOW-SPIN MODEL FERREDOXIN VIA SEVERAL SCF AND CI TECHNIQUES
Authors: CORY MG STAVREV KK ZERNER MC
Citation: Mg. Cory et al., AN EXAMINATION OF THE ELECTRONIC-STRUCTURE AND SPECTROSCOPY OF HIGH-SPIN AND LOW-SPIN MODEL FERREDOXIN VIA SEVERAL SCF AND CI TECHNIQUES, International journal of quantum chemistry, 63(3), 1997, pp. 781-795
UNTITLED
Authors: LOWDIN PO BRANDAS E GOSCINSKI O LUNELL S SABIN JR ZERNER MC OHRN NY
Citation: Po. Lowdin et al., UNTITLED, International journal of quantum chemistry, 61(1), 1997, pp. 5-5
A THEORETICAL-MODEL FOR THE ACTIVE-SITE OF NITROGENASE
Authors: STAVREV KK ZERNER MC
Citation: Kk. Stavrev et Mc. Zerner, A THEORETICAL-MODEL FOR THE ACTIVE-SITE OF NITROGENASE, Chemistry, 2(1), 1996, pp. 83-87
STRUCTURAL, ELECTRONIC, AND MAGNETIC-PROPERTIES OF SMALL NI CLUSTERS
Authors: ESTIU GL ZERNER MC
Citation: Gl. Estiu et Mc. Zerner, STRUCTURAL, ELECTRONIC, AND MAGNETIC-PROPERTIES OF SMALL NI CLUSTERS, Journal of physical chemistry, 100(42), 1996, pp. 16874-16880
Risultati: 1-25 | 26-50 | 51-71