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Results: 1-19 |
Results: 19
Structure and stability of fluorine-substituted benzene-argon complexes: The decisive role of exchange-repulsion and dispersion interactions
Authors: Tarakeshwar, P Kim, KS Kraka, E Cremer, D
Citation: P. Tarakeshwar et al., Structure and stability of fluorine-substituted benzene-argon complexes: The decisive role of exchange-repulsion and dispersion interactions, J CHEM PHYS, 115(13), 2001, pp. 6018-6029
Ab initio studies of pi-water tetramer complexes: Evolution of optimal structures, binding energies, and vibrational spectra of pi-(H2O)(n) (n=1-4) complexes
Authors: Tarakeshwar, P Kim, KS Djafari, S Buchhold, K Reimann, B Barth, HD Brutschy, B
Citation: P. Tarakeshwar et al., Ab initio studies of pi-water tetramer complexes: Evolution of optimal structures, binding energies, and vibrational spectra of pi-(H2O)(n) (n=1-4) complexes, J CHEM PHYS, 114(9), 2001, pp. 4016-4024
Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer (vol 112, pg 9759, 2000)
Authors: Lee, HM Suh, SB Lee, JY Tarakeshwar, P Kim, KS
Citation: Hm. Lee et al., Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer (vol 112, pg 9759, 2000), J CHEM PHYS, 114(7), 2001, pp. 3343-3343
sigma to pi conformational transition: Interactions of the water trimer with pi systems
Authors: Tarakeshwar, P Kim, KS Brutschy, B
Citation: P. Tarakeshwar et al., sigma to pi conformational transition: Interactions of the water trimer with pi systems, J CHEM PHYS, 114(3), 2001, pp. 1295-1305
Olefinic vs aromatic pi-H interaction: A theoretical investigation of the nature of interaction of first-row hydrides with ethene and benzene
Authors: Tarakeshwar, P Choi, HS Kim, KS
Citation: P. Tarakeshwar et al., Olefinic vs aromatic pi-H interaction: A theoretical investigation of the nature of interaction of first-row hydrides with ethene and benzene, J AM CHEM S, 123(14), 2001, pp. 3323-3331
Molecular structure of p-cyclohexylaniline. Comparison of results obtainedby X-ray diffraction with gas phase laser experiments and ab initio calculations
Authors: Riehn, C Degen, A Weichert, A Bolte, M Egert, E Brutschy, B Tarakeshwar, P Kim, KS
Citation: C. Riehn et al., Molecular structure of p-cyclohexylaniline. Comparison of results obtainedby X-ray diffraction with gas phase laser experiments and ab initio calculations, J PHYS CH A, 104(49), 2000, pp. 11593-11600
Dimer to monomer phase transition in alkali-metal fullerides: Magnetic susceptibility changes
Authors: Kim, KS Park, JM Kim, J Suh, SB Tarakeshwar, P Lee, KH Park, SS
Citation: Ks. Kim et al., Dimer to monomer phase transition in alkali-metal fullerides: Magnetic susceptibility changes, PHYS REV L, 84(11), 2000, pp. 2425-2428
Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters
Authors: Lee, JY Kim, J Lee, HM Tarakeshwar, P Kim, KS
Citation: Jy. Lee et al., Structures, vibrational frequencies, and infrared spectra of the hexa-hydrated benzene clusters, J CHEM PHYS, 113(15), 2000, pp. 6160-6168
Interaction of the water dimer with pi-systems: A theoretical investigation of structures, energies, and vibrational frequencies
Authors: Tarakeshwar, P Kim, KS Brutschy, B
Citation: P. Tarakeshwar et al., Interaction of the water dimer with pi-systems: A theoretical investigation of structures, energies, and vibrational frequencies, J CHEM PHYS, 112(4), 2000, pp. 1769-1781
Fluorobenzene and p-difluorobenzene microsolvated by methanol: An infraredspectroscopic and ab initio theoretical investigation
Authors: Buchhold, K Reimann, B Djafari, S Barth, HD Brutschy, B Tarakeshwar, P Kim, KS
Citation: K. Buchhold et al., Fluorobenzene and p-difluorobenzene microsolvated by methanol: An infraredspectroscopic and ab initio theoretical investigation, J CHEM PHYS, 112(4), 2000, pp. 1844-1858
van der Waals isomers and ionic reactivity of the cluster system para-chlorofluorobenzene/methanol
Authors: Riehn, C Buchhold, K Reimann, B Djafari, S Barth, HD Brutschy, B Tarakeshwar, P Kim, KS
Citation: C. Riehn et al., van der Waals isomers and ionic reactivity of the cluster system para-chlorofluorobenzene/methanol, J CHEM PHYS, 112(3), 2000, pp. 1170-1177
Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer
Authors: Lee, HM Suh, SB Lee, JY Tarakeshwar, P Kim, KS
Citation: Hm. Lee et al., Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer, J CHEM PHYS, 112(22), 2000, pp. 9759-9772
Molecular clusters of pi-systems: Theoretical studies of structures, spectra, and origin of interaction energies
Authors: Kim, KS Tarakeshwar, P Lee, JY
Citation: Ks. Kim et al., Molecular clusters of pi-systems: Theoretical studies of structures, spectra, and origin of interaction energies, CHEM REV, 100(11), 2000, pp. 4145-4185
Role of catalytic residues in enzymatic mechanisms of homologous ketosteroid isomerases
Authors: Oh, KS Cha, SS Kim, DH Cho, HS Ha, NC Choi, G Lee, JY Tarakeshwar, P Son, HS Choi, KY Oh, BH Kim, KS
Citation: Ks. Oh et al., Role of catalytic residues in enzymatic mechanisms of homologous ketosteroid isomerases, BIOCHEM, 39(45), 2000, pp. 13891-13896
Ab initio study of benzene-BX3 (X = H, F, Cl) interactions
Authors: Tarakeshwar, P Lee, SJ Lee, JY Kim, KS
Citation: P. Tarakeshwar et al., Ab initio study of benzene-BX3 (X = H, F, Cl) interactions, J PHYS CH B, 103(1), 1999, pp. 184-191
A theoretical investigation of benzene-AlX3 and ethene-AlX3, (X = H, F, Cl) interactions (vol 103, pg 9119, 1999)
Authors: Tarakeshwar, P Kim, KS
Citation: P. Tarakeshwar et Ks. Kim, A theoretical investigation of benzene-AlX3 and ethene-AlX3, (X = H, F, Cl) interactions (vol 103, pg 9119, 1999), J PHYS CH A, 103(51), 1999, pp. 11486-11486
A theoretical investigation of benzene-AlX3 and ethene-AlX3 (X = H, F, Cl)interactions
Authors: Tarakeshwar, P Kim, KS
Citation: P. Tarakeshwar et Ks. Kim, A theoretical investigation of benzene-AlX3 and ethene-AlX3 (X = H, F, Cl)interactions, J PHYS CH A, 103(45), 1999, pp. 9116-9124
A theoretical investigation of the nature of the pi-H interaction in ethene-H2O, benzene-H2O, and benzene-(H2O)(2)
Authors: Tarakeshwar, P Choi, HS Lee, SJ Lee, JY Kim, KS Ha, TK Jang, JH Lee, JG Lee, H
Citation: P. Tarakeshwar et al., A theoretical investigation of the nature of the pi-H interaction in ethene-H2O, benzene-H2O, and benzene-(H2O)(2), J CHEM PHYS, 111(13), 1999, pp. 5838-5850
Fluorobenzene center dot center dot center dot water and difluorobenzene center dot center dot center dot water systems: An ab initio investigation
Authors: Tarakeshwar, P Kim, KS Brutschy, B
Citation: P. Tarakeshwar et al., Fluorobenzene center dot center dot center dot water and difluorobenzene center dot center dot center dot water systems: An ab initio investigation, J CHEM PHYS, 110(17), 1999, pp. 8501-8512
Risultati: 1-19 |