A. B. Sannigrahi

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AB Initio Molecular Orbital Calculations of Bond Index and Valency

A. B. Sannigrahi, 1992 .

Paul von Ragué Schleyer, Pavel Hobza, Tapas Kar, 1990 .

Comparison of ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence

János G. Ángyán, Tapas Kar, A. B. Sannigrahi, 2000 .

Three-center bond index

Tapas Kar, T. Kar, A. B. Sannigrahi, 1990 .

Calculation of resonance energies of some simple alternant hydrocarbons by a semi-empirical lcaomo method

A. K. Kar, A. B. Sannigrahi, 1969 .

Condensed Fukui Functions Derived from Stockholder Charges: Assessment of Their Performance as Local Reactivity Descriptors

C. Alsenoy, A. B. Sannigrahi, J. Oláh, 2002 .

Ab initio calculations on lithium-bonded dimers: a brief review

T. Kar, A. B. Sannigrahi, B. G. Niyogi, 1986 .

On the nature of multicenter bonding in simple atomic clusters

R. Ponec, J. Roithová, R. Bochicchio, 2000 .

Some remarks on multi-center bond index

T. Kar, A. B. Sannigrahi, 1999 .

Effect of basis set on Mulliken and Löwdin atomic charges, bond orders and valencies of some polar molecules

T. Kar, A. B. Sannigrahi, 1988 .

Comparison of atomic charges, valencies and bond orders in some hydrogen-bonded complexes calculated from Mulliken and Löwdin SCF density matrices

T. Kar, A. B. Sannigrahi, D. C. Mukherjee, 1987 .

Calculation of excited-state properties of some small molecules: Comparative study of the CNDO/S and CNDO/2-vn−1 potential methods

A. B. Sannigrahi, B. De, D. C. Mukherjee, 1983 .

Natural populations and charge transfer in hydrogen and alkali bihalide ions

T. Kar, P. Nandi, A. B. Sannigrahi, 1994 .

Ab initio theoretical study of the electronic structure, stability and bonding of dialkali halide cations

P. Schleyer, P. Nandi, A. B. Sannigrahi, 1993 .

Ab initio theoretical study of the electronic structure, stability and bonding of MXY− ions (M = H, Li, Na; X, Y= F, C1)

T. Kar, P. Nandi, A. B. Sannigrahi, 1992 .

A closer look into the causes of discrepancy between Löwdin and Mulliken atomic charges

T. Kar, P. Nandi, A. B. Sannigrahi, 1991 .

Simplified SCF calculations on the diatomic alkali metal molecules

S. Mohammad, A. B. Sannigrahi, 1972 .

A comparative study of the structure and bonding of HOO, HOS, HSO, and HSS radicals by CNDO/2 and INDO methods

A. B. Sannigrahi, B. De, 1980 .

The Photodissociation of SiH+ in Interstellar Clouds and Stellar Atmospheres

P. Stancil, R. Buenker, A. B. Sannigrahi, 1997 .

AB INITIO CONFIGURATION INTERACTION STUDY OF THE ELECTRONIC SPECTRUM OF SIH

R. Buenker, A. B. Sannigrahi, G. Hirsch, 1995 .

Effect of semi‐empirical parameters on the simple random‐phase approximation calculations of conjugated hydrocarbons

A. B. Sannigrahi, D. C. Mukherjee, B. G. Niyogi, 1977 .

Electronic structure of triatomic interhalogens

A. B. Sannigrahi, B. De, 1982 .

CNDO/2 and INDO studies of structure and relative stability of a series of HAB–HBA systems of mixed first‐ and second‐row composition

A. B. Sannigrahi, B. De, S. Bhattacharjee, 1982 .

Theoretical prediction of ionization potential, electron affinity, and electronic spectrum of the S2N radical

S. Peyerimhoff, A. B. Sannigrahi, 1992 .

Charge Transfer Rate in Collisions of H+ Ions with Si Atoms

R. Buenker, M. Kimura, A. B. Sannigrahi, 1996 .

Ab Initio Study of Cation-Dipole Interactions. Proton, Lithium,and Sodium Affinities of Hydrogen and Alkali Halides and Natural Orbital Study of Bonding

P. Schleyer, P. Nandi, A. B. Sannigrahi, 1994 .

Selected valence electron split-shell MO calculations on Cu2, Ag2, and Au2

A. B. Sannigrahi, B. De, 1980 .

Selected valence‐electron split‐shell MO calculations on ArF+, KrF+, and XeF+

A. B. Sannigrahi, B. De, 1978 .

Split-shell molecular orbital calculations on the heteronuclear alkali metal diatomics

S. Mohammad, A. B. Sannigrahi, 1974 .

Selected valence electron split-shell molecular orbital calculations on the diatomic interhalogen molecules

S. Mohammad, A. B. Sannigrahi, 1973 .

Split-shell molecular orbital calculations on the diatomic alkali metal molecules

S. Mohammad, A. B. Sannigrahi, 1973 .

Ab initio investigation of the nature of bonding in LiX dimers with first row substituents

T. Kar, A. B. Sannigrahi, 1988 .

Triplet instability in semiempirical RPA calculations of conjugated systems containing heteroatoms

A. B. Sannigrahi, B. G. Niyogi, 1979 .

Effect of basis sets and population analysis schemes on the calculation of group electronegativity

P. Chattaraj, P. Nandi, S. Nath, 1993 .

Theoretical study of multi-centre bonding using a delocalised MO approach

T. Kar, P. Nandi, A. B. Sannigrahi, 1992 .

The Lithium Bond Reexamined

P. Schleyer, P. Hobza, T. Kar, 1990 .

HYDROGEN BONDING EFFECT ON THE ELECTRONIC ABSORPTION OF SOME SECONDARY AMINES

A. K. Chandra, A. B. Sannigrahi, 1963 .

Ab initio theoretical study of three-centre bonding on the basis of bond index

T. Kar, A. B. Sannigrahi, 2000 .

Hydrogen Bonding between Phenols and Carbon Disulphide

A. B. Sannigrahi, A. Chandra, 1967 .

Ab initio SCF study of the ground state electronic structure of SN2+2, SN2, SN2−2, S2N+ and S2N−

T. Kar, A. B. Sannigrahi, L. Behera, 1990 .

On the contribution of the triplet state to the second virial coefficients of alkali vapors

D. Mookherjee, S. Mohammad, A. B. Sannigrahi, 1975 .

Effect of basis sets on ab initio SCF calculations of molecular hardness

P. Chattaraj, S. Nath, A. B. Sannigrahi, 1994 .

The role of valence interaction in some cation-molecule complexes

P. Nandi, A. B. Sannigrahi, 1994 .

Ab initio SCF and CI calculations of the hydrogen bonding energy of hydrogen bifluoride and bichloride ions

S. Peyerimhoff, A. B. Sannigrahi, 1985 .

Non-empirical SCF and CI study of the SOH radical

S. Peyerimhoff, R. Buenker, A. B. Sannigrahi, 1977 .

Ab-initio SCF study of the nature of bonding in neutral and cationic silicon hydrides and analogous carbon compounds

P. Nandi, A. B. Sannigrahi, A. Misra, 1994, Proceedings / Indian Academy of Sciences.

An ab initio CI study of the electronic structure and spectrum of the trichloride ion

S. Peyerimhoff, A. B. Sannigrahi, 1987 .

A CNDO/2 study of the structure and relative stability of the HCS + -CSH + system

R. Das, A. B. Sannigrahi, B. De, 1980 .

Ab initio calculations of hardness and chemical potential of open shell systems using SCF, MP2 and MP4 methods

S. Scheiner, T. Kar, A. B. Sannigrahi, 1998 .

Hardness and bond index profiles of hydrogen-bonded complexes with single-minimum and double-minimum potentials

P. Chattaraj, S. Nath, A. B. Sannigrahi, 1994 .

Ab initio SCF study of maximum hardness and maximum molecular valency principles

P. Chattaraj, S. Nath, A. B. Sannigrahi, 1993 .

On the applicability of the selected valence electron split‐shell method to ionic molecules

S. Mohammad, A. B. Sannigrahi, 1976 .

Ab initio MRD-CI study of the FHI− ion

A. B. Sannigrahi, M. Perić, 1990 .

Ab initio MRD-CI calculations of the electronic structure and hydrogen-bond energy of ClHBr−

S. Peyerimhoff, A. B. Sannigrahi, 1990 .

Ab initio MRD CI study of the FHBr− ion

S. Peyerimhoff, A. B. Sannigrahi, 1989 .

Ab initio CI study of the hydrogen bibromide ion

S. Peyerimhoff, A. B. Sannigrahi, 1988 .

Ab initio SCF and MRD CI studies of the FHCl− ion

S. Peyerimhoff, A. B. Sannigrahi, 1984 .

Theoretical study of the geometry and spectrum of the HS2 radical

S. Peyerimhoff, R. Buenker, A. B. Sannigrahi, 1977 .

Ab initio SCF and CI study of the ground and first excited state of the HSO radical

S. Peyerimhoff, R. Buenker, A. B. Sannigrahi, 1977 .

Electronic Structure, Stability, and Nature of Bonding of the Complexes of C2H2and C2H4with H+, Li+, and Na+Ions. Extensive ab Initio and Density Functional Study

R. Ponec, T. Kar, A. B. Sannigrahi, 2001 .

A comparison of condensed fukui function, free valency and unpaired spin population as reactivity indices for open-shell molecules

A. B. Sannigrahi, G. Misra, 1996 .

On the geometry of HSO, SOH and HS2 radicals in their ground and first excited electronic states

A. B. Sannigrahi, 1978 .

Ab initio CI study of the electronic structure and spectrum of the dibromide ion

S. Peyerimhoff, A. B. Sannigrahi, 1988 .

Ab initio SCF study of the nature of bonding in Si2H2 and Si2H4

P. Nandi, A. B. Sannigrahi, 1992 .

Bonding in beryllium carbonyls

T. Kar, P. Nandi, A. B. Sannigrahi, 1994 .

Effect of basis-set superposition on the atomic charges and valencies in hydrogen- and lithium-bonded complexes

T. Kar, A. B. Sannigrahi, L. Behera, 1990 .

Ab initio MRD‐Cl calculation of the electron affinity of bromine

S. Peyerimhoff, A. B. Sannigrahi, 1988 .

Effect of a general nonsingular transformation of the AO basis set on MO calculations of valency

T. Kar, A. B. Sannigrahi, L. Behera, 1989 .

Some remarks on the core resonance integral as used in the semi‐empirical π‐electron calculations

A. B. Sannigrahi, 1972 .

HARDNESS, CHEMICAL POTENTIAL, AND VALENCY PROFILES OF MOLECULES UNDER INTERNAL ROTATIONS

P. Chattaraj, S. Nath, A. B. Sannigrahi, 1994 .

Ab initio potential curves, dipole moments, and transition probabilities for the low‐lying states of arsenic oxide

A. B. Alekseyev, H. Liebermann, R. Buenker, 1995 .

On the triplet instability in semiempirical RPA calculations of conjugated hydrocarbons

A. B. Sannigrahi, B. G. Niyogi, 1978 .

AB INITIO STUDY OF THE ELECTRONIC STRUCTURE AND SPECTRUM OF THE S2N- ION

S. Peyerimhoff, A. B. Sannigrahi, 1990 .

Molecular orbital theory of bond order and valency

T. Kar, A. B. Sannigrahi, 1988 .

Ab initio scf and Ci study of the electronic structure of the trichlorine radical

S. Peyerimhoff, A. B. Sannigrahi, 1986 .

Ab initio SCF and CI study of the electronic structure and spectrum of the chlorine difluoride radical

S. Peyerimhoff, A. B. Sannigrahi, 1985 .

Comparative study of the structure and properties of ClF2 and Cl3 radicals by CNDO/2 and INDO methods

A. B. Sannigrahi, B. De, 1981 .

Molecular orbital calculations of valency within the framework of a general non-singular transformation of the atomic orbital basis sets

T. Kar, A. B. Sannigrahi, L. Behera, 1990 .

Triplet-triplet absorption in benzene

A. B. Sannigrahi, 1970 .

Effect of semi‐empirical parameters on the triplet energy levels and triplet–triplet transition in benzene

A. B. Sannigrahi, 1971 .

The formation of SiH+, PH+, and SH+ by radiative association

P. Stancil, R. Buenker, A. B. Sannigrahi, 2000 .

Hardness and Chemical Potential Profiles for Some Open-Shell HAB → HBA Type Reactions. Ab Initio and Density Functional Study

S. Scheiner, T. Kar, A. B. Sannigrahi, 1998 .

Improved hardness parameters for molecules

P. Chattaraj, P. Nandi, A. B. Sannigrahi, 1991, Proceedings / Indian Academy of Sciences.

Second virial coefficients of alkali vapours

D. Mookherjee, S. Mohammad, A. B. Sannigrahi, 1976 .