AAAAAA

   
Results: 1-25 | 26-29
Results: 1-25/29
Transferability and physicochemical interpretation of canonical force fields in redundant internal coordinates: Pyridazine and 3,6-dichloropyridazine
Authors: Vazquez, J Gonzalez, JJL Marquez, F Torres, EM Boggs, JE
Citation: J. Vazquez et al., Transferability and physicochemical interpretation of canonical force fields in redundant internal coordinates: Pyridazine and 3,6-dichloropyridazine, J PHYS CH A, 105(41), 2001, pp. 9354-9365
Lowest singlet and triplet states of copper, silver, and gold trihydrides:an ab initio study
Authors: Balabanov, NB Boggs, JE
Citation: Nb. Balabanov et Je. Boggs, Lowest singlet and triplet states of copper, silver, and gold trihydrides:an ab initio study, J PHYS CH A, 105(24), 2001, pp. 5906-5910
Experimental and ab initio equilibrium structures of cis-thionylimide, HNSO: Estimation of the Laurie correction
Authors: Demaison, J Margules, L Boggs, JE Rudolph, HD
Citation: J. Demaison et al., Experimental and ab initio equilibrium structures of cis-thionylimide, HNSO: Estimation of the Laurie correction, STRUCT CHEM, 12(1), 2001, pp. 1-13
Rotational spectrum, ring-puckering vibration and ab initio calculations on tetrahydrothiophene
Authors: Margules, L Sanz, ME Kassi, S Petitprez, D Wlodarczak, G Lopez, JC Boggs, JE
Citation: L. Margules et al., Rotational spectrum, ring-puckering vibration and ab initio calculations on tetrahydrothiophene, CHEM PHYS, 263(1), 2001, pp. 19-31
How different can the bond angles be in two conformers?
Authors: Mastryukov, VS Boggs, JE Durig, JR
Citation: Vs. Mastryukov et al., How different can the bond angles be in two conformers?, J MOL STRUC, 567, 2001, pp. 101-106
Experimental and ab initio equilibrium structure and harmonic force field of 1,2,5-oxadiazole
Authors: Vazquez, J Demaison, J Lopez-Gonzalez, JJ Boggs, JE Rudolph, HD
Citation: J. Vazquez et al., Experimental and ab initio equilibrium structure and harmonic force field of 1,2,5-oxadiazole, J MOL SPECT, 207(2), 2001, pp. 224-237
Ab initio study of molecular and electronic structures of early transitionmetal trihydrides MH3 (M = Sc, Ti, V, Fe)
Authors: Balabanov, NB Boggs, JE
Citation: Nb. Balabanov et Je. Boggs, Ab initio study of molecular and electronic structures of early transitionmetal trihydrides MH3 (M = Sc, Ti, V, Fe), J PHYS CH A, 104(7), 2000, pp. 1597-1601
Molecules MH3 (M = Cr, Mo, W) are pyramidal: CCSD(T) ab initio study of structure and vibrational dynamics
Authors: Balabanov, NB Boggs, JE
Citation: Nb. Balabanov et Je. Boggs, Molecules MH3 (M = Cr, Mo, W) are pyramidal: CCSD(T) ab initio study of structure and vibrational dynamics, J PHYS CH A, 104(31), 2000, pp. 7370-7374
Experimental and theoretical analysis of the vibrational spectra and theoretical study of the structures of 3,6-dichloropyridazine and 3,4,5-trichloropyridazine
Authors: Vazquez, J Gonzalez, JJL Marquez, F Pongor, G Boggs, JE
Citation: J. Vazquez et al., Experimental and theoretical analysis of the vibrational spectra and theoretical study of the structures of 3,6-dichloropyridazine and 3,4,5-trichloropyridazine, J PHYS CH A, 104(12), 2000, pp. 2599-2612
Malignant insulinoma metastatic to the breast
Authors: Kaklamanos, IG Bathe, OF Sfakianakis, GN Nadji, M Velasquez, MV Levi, DM Boggs, JE
Citation: Ig. Kaklamanos et al., Malignant insulinoma metastatic to the breast, ENDOCRINOLO, 10(3), 2000, pp. 211-212
Pyramidalized alkenes: Theory and experiment
Authors: Mastryukov, VS Boggs, JE
Citation: Vs. Mastryukov et Je. Boggs, Pyramidalized alkenes: Theory and experiment, STRUCT CHEM, 11(2-3), 2000, pp. 97-103
The equilibrium CC bond length
Authors: Margules, L Demaison, J Boggs, JE
Citation: L. Margules et al., The equilibrium CC bond length, STRUCT CHEM, 11(2-3), 2000, pp. 145-154
The equilibrium N-H bond length
Authors: Demaison, J Margules, L Boggs, JE
Citation: J. Demaison et al., The equilibrium N-H bond length, CHEM PHYS, 260(1-2), 2000, pp. 65-81
Ab initio and equilibrium bond angles. Structures of HNO and H2O2
Authors: Margules, L Demaison, J Boggs, JE
Citation: L. Margules et al., Ab initio and equilibrium bond angles. Structures of HNO and H2O2, J MOL ST-TH, 500, 2000, pp. 245-258
The ground singlet and low-lying triplet electronic states of CuF3
Authors: Solomonik, VG Boggs, JE Stanton, JF
Citation: Vg. Solomonik et al., The ground singlet and low-lying triplet electronic states of CuF3, J MOL ST-TH, 496, 2000, pp. 213-216
Improved electron-conformational method of pharmacophore identification and bioactivity prediction. Application to angiotensin converting enzyme inhibitors
Authors: Bersuker, IB Bahceci, S Boggs, JE
Citation: Ib. Bersuker et al., Improved electron-conformational method of pharmacophore identification and bioactivity prediction. Application to angiotensin converting enzyme inhibitors, J CHEM INF, 40(6), 2000, pp. 1363-1376
Multiple lines of conical intersections and nondegenerate ground state in T circle times t(2) Jahn-Teller systems
Authors: Koizumi, H Bersuker, IB Boggs, JE Polinger, VZ
Citation: H. Koizumi et al., Multiple lines of conical intersections and nondegenerate ground state in T circle times t(2) Jahn-Teller systems, J CHEM PHYS, 112(19), 2000, pp. 8470-8482
The electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding
Authors: Bersuker, IB Bahceci, S Boggs, JE
Citation: Ib. Bersuker et al., The electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding, IUL BIOTECH, 2, 2000, pp. 455-476
Jahn-Teller effect in VF3
Authors: Solomonik, VG Boggs, JE Stanton, JF
Citation: Vg. Solomonik et al., Jahn-Teller effect in VF3, J PHYS CH A, 103(7), 1999, pp. 838-840
Equilibrium C-F bond length and the structure of formyl fluoride, difluorocarbene, monofluoromethylene, and difluoromethane
Authors: Margules, L Demaison, J Boggs, JE
Citation: L. Margules et al., Equilibrium C-F bond length and the structure of formyl fluoride, difluorocarbene, monofluoromethylene, and difluoromethane, J PHYS CH A, 103(38), 1999, pp. 7632-7638
Unfiltered sulfur colloid and sentinel node biopsy for breast cancer: Technical and kinetic considerations
Authors: Moffat, FL Gulec, SA Sittler, SY Serafini, AN Sfakianakis, GN Boggs, JE Franceschi, D Pruett, CS Pop, R Gurkok, C Livingstone, AS Krag, DN
Citation: Fl. Moffat et al., Unfiltered sulfur colloid and sentinel node biopsy for breast cancer: Technical and kinetic considerations, ANN SURG O, 6(8), 1999, pp. 746-755
A novel electron-conformational approach to molecular modeling for QSAR byidentification of pharmacophore and anti-pharmacophore shielding
Authors: Bersuker, IB Bahceci, S Boggs, JE Pearlman, RS
Citation: Ib. Bersuker et al., A novel electron-conformational approach to molecular modeling for QSAR byidentification of pharmacophore and anti-pharmacophore shielding, SAR QSAR EN, 10(2-3), 1999, pp. 157-173
Guidelines for presentation of methodological choices in the publication of computational results - A. Ab initio electronic structure calculations
Authors: Boggs, JE
Citation: Je. Boggs, Guidelines for presentation of methodological choices in the publication of computational results - A. Ab initio electronic structure calculations, STRUCT CHEM, 10(1), 1999, pp. 67-70
An electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding: Application to rice blast activity
Authors: Bersuker, IB Bahceci, S Boggs, JE Pearlman, RS
Citation: Ib. Bersuker et al., An electron-conformational method of identification of pharmacophore and anti-pharmacophore shielding: Application to rice blast activity, J COMPUT A, 13(4), 1999, pp. 419-434
Guidelines for presentation of methodological choices in the publication of computational results: Ab initio electronic structure calculations
Authors: Boggs, JE
Citation: Je. Boggs, Guidelines for presentation of methodological choices in the publication of computational results: Ab initio electronic structure calculations, J COMPUT CH, 20(14), 1999, pp. 1587-1590
Risultati: 1-25 | 26-29