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Results: 1-18 |
Results: 18
HARDNESS AND CHEMICAL-POTENTIAL PROFILES FOR SOME OPEN-SHELL HAB-]-HBA TYPE REACTIONS - AB-INITIO AND DENSITY-FUNCTIONAL STUDY
Authors: KAR T SCHEINER S SANNIGRAHI AB
Citation: T. Kar et al., HARDNESS AND CHEMICAL-POTENTIAL PROFILES FOR SOME OPEN-SHELL HAB-]-HBA TYPE REACTIONS - AB-INITIO AND DENSITY-FUNCTIONAL STUDY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(29), 1998, pp. 5967-5973
AB-INITIO CALCULATIONS OF HARDNESS AND CHEMICAL-POTENTIAL OF OPEN-SHELL SYSTEMS USING SCF, MP2 AND MP4 METHODS
Authors: KAR T SCHEINER S SANNIGRAHI AB
Citation: T. Kar et al., AB-INITIO CALCULATIONS OF HARDNESS AND CHEMICAL-POTENTIAL OF OPEN-SHELL SYSTEMS USING SCF, MP2 AND MP4 METHODS, Journal of molecular structure. Theochem, 427, 1998, pp. 79-85
THE PHOTODISSOCIATION OF SIH+ IN INTERSTELLAR CLOUDS AND STELLAR ATMOSPHERES
Authors: STANCIL PC KIRBY K SANNIGRAHI AB BUENKER RJ HIRSCH G GU JP
Citation: Pc. Stancil et al., THE PHOTODISSOCIATION OF SIH+ IN INTERSTELLAR CLOUDS AND STELLAR ATMOSPHERES, The Astrophysical journal, 486(1), 1997, pp. 574-579
EFFECT OF SPIN CONTAMINATION IN UHF WAVE-FUNCTIONS ON CHARGE DENSITY-BASED LOCAL QUANTITIES
Authors: NANDI PK KAR T SANNIGRAHI AB
Citation: Pk. Nandi et al., EFFECT OF SPIN CONTAMINATION IN UHF WAVE-FUNCTIONS ON CHARGE DENSITY-BASED LOCAL QUANTITIES, Journal of molecular structure. Theochem, 362(1), 1996, pp. 69-75
A COMPARISON OF CONDENSED FUKUI FUNCTION, FREE VALENCY AND UNPAIRED SPIN POPULATION AS REACTIVITY INDEXES FOR OPEN-SHELL MOLECULES
Authors: MISRA GP SANNIGRAHI AB
Citation: Gp. Misra et Ab. Sannigrahi, A COMPARISON OF CONDENSED FUKUI FUNCTION, FREE VALENCY AND UNPAIRED SPIN POPULATION AS REACTIVITY INDEXES FOR OPEN-SHELL MOLECULES, Journal of molecular structure. Theochem, 361, 1996, pp. 63-68
CHARGE-TRANSFER RATE IN COLLISIONS OF H+ IONS WITH SI ATOMS
Authors: KIMURA M SANNIGRAHI AB GU JP HIRSCH G BUENKER RJ SHIMAMURA I
Citation: M. Kimura et al., CHARGE-TRANSFER RATE IN COLLISIONS OF H+ IONS WITH SI ATOMS, The Astrophysical journal, 473(2), 1996, pp. 1114-1117
AB-INITIO POTENTIAL CURVES, DIPOLE-MOMENTS, AND TRANSITION-PROBABILITIES FOR THE LOW-LYING STATES OF ARSENIC OXIDE
Authors: ALEKSEYEV AB SANNIGRAHI AB LIEBERMANN HP BUENKER RJ HIRSCH G
Citation: Ab. Alekseyev et al., AB-INITIO POTENTIAL CURVES, DIPOLE-MOMENTS, AND TRANSITION-PROBABILITIES FOR THE LOW-LYING STATES OF ARSENIC OXIDE, The Journal of chemical physics, 103(1), 1995, pp. 234-244
AB-INITIO CONFIGURATION-INTERACTION STUDY OF THE ELECTRONIC-SPECTRUM OF SIH+
Authors: SANNIGRAHI AB BUENKER RJ HIRSCH G GU JP
Citation: Ab. Sannigrahi et al., AB-INITIO CONFIGURATION-INTERACTION STUDY OF THE ELECTRONIC-SPECTRUM OF SIH+, Chemical physics letters, 237(3-4), 1995, pp. 204-211
AB-INITIO SCF STUDY OF THE NATURE OF BONDING IN NEUTRAL AND CATIONIC SILICON HYDRIDES AND ANALOGOUS CARBON-COMPOUNDS
Authors: NANDI PK MISRA A SANNIGRAHI AB
Citation: Pk. Nandi et al., AB-INITIO SCF STUDY OF THE NATURE OF BONDING IN NEUTRAL AND CATIONIC SILICON HYDRIDES AND ANALOGOUS CARBON-COMPOUNDS, Proceedings of the Indian Academy of Sciences. Chemical sciences, 106(2), 1994, pp. 315-326
HARDNESS AND BOND INDEX PROFILES OF HYDROGEN-BONDED COMPLEXES WITH SINGLE-MINIMUM AND DOUBLE-MINIMUM POTENTIALS
Authors: NATH S SANNIGRAHI AB CHATTARAJ PK
Citation: S. Nath et al., HARDNESS AND BOND INDEX PROFILES OF HYDROGEN-BONDED COMPLEXES WITH SINGLE-MINIMUM AND DOUBLE-MINIMUM POTENTIALS, Journal of molecular structure. Theochem, 115(1), 1994, pp. 65-77
THE ROLE OF VALENCE INTERACTION IN SOME CATION-MOLECULE COMPLEXES
Authors: NANDI PK SANNIGRAHI AB
Citation: Pk. Nandi et Ab. Sannigrahi, THE ROLE OF VALENCE INTERACTION IN SOME CATION-MOLECULE COMPLEXES, Journal of molecular structure. Theochem, 113, 1994, pp. 99-105
NATURAL-POPULATIONS AND CHARGE-TRANSFER IN HYDROGEN AND ALKALI BIHALIDE IONS
Authors: SANNIGRAHI AB NANDI PK KAR T
Citation: Ab. Sannigrahi et al., NATURAL-POPULATIONS AND CHARGE-TRANSFER IN HYDROGEN AND ALKALI BIHALIDE IONS, Journal of molecular structure. Theochem, 112(1), 1994, pp. 83-85
EFFECT OF BASIS-SETS ON AB-INITIO SCF CALCULATIONS OF MOLECULAR HARDNESS
Authors: NATH S SANNIGRAHI AB CHATTARAJ PK
Citation: S. Nath et al., EFFECT OF BASIS-SETS ON AB-INITIO SCF CALCULATIONS OF MOLECULAR HARDNESS, Journal of molecular structure. Theochem, 112(1), 1994, pp. 87-90
HARDNESS, CHEMICAL-POTENTIAL, AND VALENCY PROFILES OF MOLECULES UNDERINTERNAL ROTATIONS
Authors: CHATTARAJ PK NATH S SANNIGRAHI AB
Citation: Pk. Chattaraj et al., HARDNESS, CHEMICAL-POTENTIAL, AND VALENCY PROFILES OF MOLECULES UNDERINTERNAL ROTATIONS, Journal of physical chemistry, 98(37), 1994, pp. 9143-9145
BONDING IN BERYLLIUM CARBONYLS
Authors: KAR T NANDI PK SANNIGRAHI AB
Citation: T. Kar et al., BONDING IN BERYLLIUM CARBONYLS, Chemical physics letters, 220(1-2), 1994, pp. 133-137
AB-INITIO STUDY OF CATION-DIPOLE INTERACTIONS - PROTON, LITHIUM, AND SODIUM AFFINITIES OF HYDROGEN AND ALKALI-HALIDES AND NATURAL ORBITAL STUDY OF BONDING
Authors: SANNIGRAHI AB NANDI PK SCHLEYER PV
Citation: Ab. Sannigrahi et al., AB-INITIO STUDY OF CATION-DIPOLE INTERACTIONS - PROTON, LITHIUM, AND SODIUM AFFINITIES OF HYDROGEN AND ALKALI-HALIDES AND NATURAL ORBITAL STUDY OF BONDING, Journal of the American Chemical Society, 116(16), 1994, pp. 7225-7232
CONFIGURATION-INTERACTION STUDY OF THE POTENTIAL-ENERGY SURFACE OF THE 3 LOWEST SINGLET A' AND A'' STATES OF HCP
Authors: SANNIGRAHI AB GREIN F
Citation: Ab. Sannigrahi et F. Grein, CONFIGURATION-INTERACTION STUDY OF THE POTENTIAL-ENERGY SURFACE OF THE 3 LOWEST SINGLET A' AND A'' STATES OF HCP, Chemical physics letters, 214(6), 1993, pp. 609-614
AB-INITIO SCF STUDY OF MAXIMUM HARDNESS AND MAXIMUM MOLECULAR VALENCYPRINCIPLES
Authors: CHATTARAJ PK NATH S SANNIGRAHI AB
Citation: Pk. Chattaraj et al., AB-INITIO SCF STUDY OF MAXIMUM HARDNESS AND MAXIMUM MOLECULAR VALENCYPRINCIPLES, Chemical physics letters, 212(3-4), 1993, pp. 223-230
Risultati: 1-18 |