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Results: 1-18 |
Results: 18
An ab initio study of electronic structure and spectra of 8-bromoguanine: a comparative study with guanine
Authors: Mishra, SK Mishra, PC
Citation: Sk. Mishra et Pc. Mishra, An ab initio study of electronic structure and spectra of 8-bromoguanine: a comparative study with guanine, SPECT ACT A, 57(12), 2001, pp. 2433-2450
Soil biochemical activity and growth response of rice Oryza sativa in flyash amended soil
Authors: Sarangi, PK Mahakur, D Mishra, PC
Citation: Pk. Sarangi et al., Soil biochemical activity and growth response of rice Oryza sativa in flyash amended soil, BIORES TECH, 76(3), 2001, pp. 199-205
Stability of the normal, zwitterionic neutral and anionic forms of aspartic acid in gas phase and aqueous media
Authors: Kushwaha, PS Mishra, PC
Citation: Ps. Kushwaha et Pc. Mishra, Stability of the normal, zwitterionic neutral and anionic forms of aspartic acid in gas phase and aqueous media, J MOL ST-TH, 549(3), 2001, pp. 229-242
Study of hybridization displacement charge distribution using ab initio wave functions and evaluation of molecular electrostatic properties
Authors: Kumar, A Mishra, PC
Citation: A. Kumar et Pc. Mishra, Study of hybridization displacement charge distribution using ab initio wave functions and evaluation of molecular electrostatic properties, J MOL ST-TH, 543, 2001, pp. 99-113
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
Near ab initio quality molecular electrostatic potential maps using hybridization displacement charges at PM3 level and effects of geometrical changes in amino groups
Authors: Singh, AK Kushwaha, PS Mishra, PC
Citation: Ak. Singh et al., Near ab initio quality molecular electrostatic potential maps using hybridization displacement charges at PM3 level and effects of geometrical changes in amino groups, INT J QUANT, 82(6), 2001, pp. 299-312
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
Electronic spectra, excited-state geometries and molecular electrostatic potentials of aromatic amino acids
Authors: Kushwaha, PS Mishra, PC
Citation: Ps. Kushwaha et Pc. Mishra, Electronic spectra, excited-state geometries and molecular electrostatic potentials of aromatic amino acids, J PHOTOCH A, 137(2-3), 2000, pp. 79-86
An ab initio study of molecular charge distribution and electrostatic potentials: Role of hybridization displacement charge
Authors: Kumar, A Mishra, PC
Citation: A. Kumar et Pc. Mishra, An ab initio study of molecular charge distribution and electrostatic potentials: Role of hybridization displacement charge, I J CHEM A, 39(1-3), 2000, pp. 180-188
Molecular structure-activity relationship study of some non-steroidal antiinflammatory agents using electrostatic potential mapping
Authors: Mohan, CG Mishra, PC
Citation: Cg. Mohan et Pc. Mishra, Molecular structure-activity relationship study of some non-steroidal antiinflammatory agents using electrostatic potential mapping, I J BIOCH B, 37(4), 2000, pp. 268-272
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
Relationship of hydrogen bonding energy with electrostatic and polarization energies and molecular electrostatic potentials for amino acids: An evaluation of the lock and key model
Authors: Kushwaha, PS Mishra, PC
Citation: Ps. Kushwaha et Pc. Mishra, Relationship of hydrogen bonding energy with electrostatic and polarization energies and molecular electrostatic potentials for amino acids: An evaluation of the lock and key model, INT J QUANT, 76(6), 2000, pp. 700-713
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
Charge distributions and molecular electrostatic potentials around amino acids: Usefulness of hybridization displacement charge
Authors: Kushwaha, PS Kumar, A Mishra, PC
Citation: Ps. Kushwaha et al., Charge distributions and molecular electrostatic potentials around amino acids: Usefulness of hybridization displacement charge, INT J QUANT, 74(3), 1999, pp. 271-289
Modified hybridization displacement charge scheme for pi-electron systems:Study of molecular electrostatic potential maps
Authors: Mishra, PC Kumar, A
Citation: Pc. Mishra et A. Kumar, Modified hybridization displacement charge scheme for pi-electron systems:Study of molecular electrostatic potential maps, INT J QUANT, 71(2), 1999, pp. 191-200
Risultati: 1-18 |