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Results: 1-15 |
Results: 15
An ab initio study of excited state molecular electrostatic potential mapsand other related properties of 5-fluorouracil: a comparative study with uracil
Authors: Shukla, MK Kumar, A Mishra, PC
Citation: Mk. Shukla et al., An ab initio study of excited state molecular electrostatic potential mapsand other related properties of 5-fluorouracil: a comparative study with uracil, J MOL ST-TH, 535, 2001, pp. 269-277
An ab initio study of water clusters in gas phase and bulk aqueous media: (H2O)(n), n=1-12
Authors: Upadhyay, DM Shukla, MK Mishra, PC
Citation: Dm. Upadhyay et al., An ab initio study of water clusters in gas phase and bulk aqueous media: (H2O)(n), n=1-12, INT J QUANT, 81(1), 2001, pp. 90-104
Electronic spectra of adenine and 2-aminopurine: an ab initio study of energy level diagrams of different tautomers in gas phase and aqueous solution
Authors: Mishra, SK Shukla, MK Mishra, PC
Citation: Sk. Mishra et al., Electronic spectra of adenine and 2-aminopurine: an ab initio study of energy level diagrams of different tautomers in gas phase and aqueous solution, SPECT ACT A, 56(7), 2000, pp. 1355-1384
Theoretical study of proton transfer in hypoxanthine tautomers: Effects ofhydration
Authors: Shukla, MK Leszczynski, J
Citation: Mk. Shukla et J. Leszczynski, Theoretical study of proton transfer in hypoxanthine tautomers: Effects ofhydration, J PHYS CH A, 104(13), 2000, pp. 3021-3027
Lignin reinforced rubber composites
Authors: Setua, DK Shukla, MK Nigam, V Singh, H Mathur, GN
Citation: Dk. Setua et al., Lignin reinforced rubber composites, POLYM COMP, 21(6), 2000, pp. 988-995
An ab initio study of excited states of guanine in the gas phase and aqueous media: Electronic transitions and mechanism of spectral oscillations
Authors: Shukla, MK Mishra, SK Kumar, A Mishra, PC
Citation: Mk. Shukla et al., An ab initio study of excited states of guanine in the gas phase and aqueous media: Electronic transitions and mechanism of spectral oscillations, J COMPUT CH, 21(10), 2000, pp. 826-846
Lowest singlet excited state geometries, rotational constants and molecular electrostatic potentials of some substituted benzenes: an ab initio study
Authors: Upadhyay, DM Shukla, MK Mishra, PC
Citation: Dm. Upadhyay et al., Lowest singlet excited state geometries, rotational constants and molecular electrostatic potentials of some substituted benzenes: an ab initio study, J MOL ST-TH, 531, 2000, pp. 249-266
A DFT investigation on effects of hydration on the tautomeric equilibria of hypoxanthine
Authors: Shukla, MK Leszczynski, J
Citation: Mk. Shukla et J. Leszczynski, A DFT investigation on effects of hydration on the tautomeric equilibria of hypoxanthine, J MOL ST-TH, 529, 2000, pp. 99-112
Investigations of the excited-state properties of isocytosine: An ab initio approach
Authors: Shukla, MK Leszczynski, J
Citation: Mk. Shukla et J. Leszczynski, Investigations of the excited-state properties of isocytosine: An ab initio approach, INT J QUANT, 77(1), 2000, pp. 240-254
Isotopic dilution study of self association in (CH3CN+CD3CN) mixture by scanning multichannel Raman difference technique and ab-initio calculations
Authors: Asthana, BP Deckert, V Shukla, MK Kiefer, W
Citation: Bp. Asthana et al., Isotopic dilution study of self association in (CH3CN+CD3CN) mixture by scanning multichannel Raman difference technique and ab-initio calculations, CHEM P LETT, 326(1-2), 2000, pp. 123-128
Transport of chloride through water-saturated soil columns
Authors: Shukla, MK Kastanek, FJ Nielsen, DR
Citation: Mk. Shukla et al., Transport of chloride through water-saturated soil columns, BODENKULTUR, 51(4), 2000, pp. 235-246
Anion exclusion during transport of chloride through soil columns
Authors: Shukla, MK Cepuder, P
Citation: Mk. Shukla et P. Cepuder, Anion exclusion during transport of chloride through soil columns, T ASAE, 43(6), 2000, pp. 1425-1430
A geometry optimization and molecular electrostatic potential mapping study of structure-activity relationship for some anti-Alzheimer agents
Authors: Kushwaha, PS Shukla, MK Mishra, PC
Citation: Ps. Kushwaha et al., A geometry optimization and molecular electrostatic potential mapping study of structure-activity relationship for some anti-Alzheimer agents, I J BIOCH B, 36(2), 1999, pp. 101-106
A gas phase ab initio excited state geometry optimization study of thymine, cytosine and uracil
Authors: Shukla, MK Mishra, PC
Citation: Mk. Shukla et Pc. Mishra, A gas phase ab initio excited state geometry optimization study of thymine, cytosine and uracil, CHEM PHYS, 240(3), 1999, pp. 319-329
Miscible displacement in porous media: Theoretical evaluation
Authors: Shukla, MK Klepsch, S Loiskandl, W
Citation: Mk. Shukla et al., Miscible displacement in porous media: Theoretical evaluation, BODENKULTUR, 50(2), 1999, pp. 93-109
Risultati: 1-15 |