Vol. 96, January-December 1986

Electrochemical and spectroscopic studies on some pyridyl and morpholyl
adducts of (meso-tetraphenylporphyrin) chromium(III) chloride
S P Roe, R J Magee and J 0 Hill 1-8
Preparation and characterisation of phosphate and arsenate apatites of
barium and their solid solution
PVR Rao, B Dey, S K Gupta and T S B Narasaraju 9-12
Kinetics of oxidation of fluorene by alkaline hexacyanoferrate(III) M Krishna Pillay and N Nagasundaram 13-19
Mixed valency in the high-temperature phases of transition metal
molybdates, AMoO4 (A — Fe, Co, Ni)
R A Mohan Ram and
J Gopalakrishnan
Enthalpy and entropy changes associated with mixed ligand chelates of
Cu(II) and Ni(II) with 4-methoxy picolinic acid N-oxide and some amino
acids in aqueous medium
C H Sarala Devi and M G Ram Reddy 297-300
Kinetics and mechanism of oxidation of S2Oa ~ by potassium bis (tellurato)
G P Panigrahi and A C Pathy 301-308
Structure and stability of complexes of thiohydantoin derivative R M El-Bahnasawy, M M Shoukry and M M Hussein 309-313
Infrared study of FeO • OH -> Fe2O3 thermal transformation M Samira Rabie and Hajjar Balkees 315-320
Inorganic and Analytical

Anisochrony of O-methylene protons of ethyl ester functions and struc-
tural factors in the connected chiral entities
S N Balasubrahmanyam 21-58
Oxidation of substituted phenols with metal dioxygen carrier, Co(salen)
pyridinate: solvent effects
S Satish and P A Ganeshpure 59-65
Polychalcone derived from 8-acetoxyquinoline-5-aldehyde H S Patel 321-326

Physical and Theoretical

Reinvestigation of the antifungal activities of some aromatic N-oxides
Arabinda Ray, S K Noor Mohammad and G V Kulkarni 67-71
The identification and origin of N-H group overtone and combination
bands in the near infrared spectra of 2-thio-pyrrole-l,2-dicarboximides v ^.y-
S Ram, 0 P Lamba and J S Yadav 73-83
Studies on I-V characteristics of dark and photoconduction in methylbixin Dilip Ghosh, Prabir Pal, KM Jain and T N Misra 85-89
Crystal spectra of methiodidessof some nitrogen heteroaromatics M Pal and S Bagchi 91-95
Simple equations for predicting volume properties of aqueous concentrated
electrolyte mixtures
Anil Kumar 97-101
Excited state relaxation and energy transfer between Tb3 + ->• Nd3 + and
Tb3 + -+ Ho3 + in POC13: SnCl4
Janardan Joshi and J C Joshi 103-113
Anomeric effect in carbohydrates—An ab initio study on extended model
P Kaliannan, S Vishveshwara and VSR Rao 327-339
Photoprocesses in sodium decyl sulphate micellar media
D B Naik and P N Moorthy 341-350
What is the maximum yield in the solid state cinnamic acid dimerisation? A
combinatorial mathematical approach
J Gautam R Desiraju and V Kannan 351-362
Rotational isomerism and barriers to internal rotation in 3-halopropenes
by SCF-MO methods
V Santhanam and J Sobhanadri 363-371
The scaled one-electron Hamiltonian model' for open-shell LCAO-MO-SCF
calculations: Further corrections to the SOEH energy
Kalyan Kumar Das and Sankar Prasad Bhattacharyya 373-382
Rapid Communications
Determination of the number of d electron states in catalysts
G Sankar, P Sen, S Vasudevan andC N R Rao 115-120
Magnetic susceptibility studies of lead oxyhalide glasses containing tran-
sition metal oxides
B G Rao, N Y Vasanthacharya and K J Rao 383-388

Special issue in dedication to Prof. Sadhan Basu on his 65th Birthday

A generalization of Brillouin's theorem and the stability condition in the
quantum-mechanical variation principle in the case of general trial wave
Per-Olov Lowdin 121-126
Translational and rotational symmetries in third integral derivatives James O Jensen, Ajit Banerjee and Jack Simons 127-134
Applications of a novel algorithm for the calculation of MCSCF wavefunc-
tion: a look into possible avenues of convergence acceleration
Kalyan Kumar Das, I)ebashis Mukherjee and
Sankar Prasad Bhattacharyya
Linked-cluster theorem in open shell coupled-cluster theory for mp-mh
model space determinants
D Mukherjee 145-154
Cluster expansion of the wave function. Potential energy curves of the
ground and excited states of CO
0 Kitao and H Nakatsuji 155-166
The quantum chemistry of valency M S Gopinathan 167-176
Direct calculation of energy differences, such as ionization potentials
WKutzelnigg, H Reitz, S Durmaz and S Koch 177-194
Dynamics of bond-formation in some bound states of HeH+ V Rama Rao and Asish K Chandra 195-205
The diabatic energy surface for H3 Mayumi Okada and G G Hall 207-214
Absorption spectrum for the transition state H* —A quantum mechanical
model study
Sudeshna Sinha, N Sathyamurthy and K Banerjee 215-222
Approximate multiconfiguration variational calculations using partially
localized orbitals
G P Das 223-229
Improved Z-dependence of the ground-state energies of neutral atoms P K Chattaraj, A Mukherjee, M P Das and B M Deb 231-239
Compton profiles of atoms from electron densities via reciprocal form
Shridhar R Gadre and Subhas J Chakravorty 241-248
Sum rules in inelastic gas-surface scattering Ramakrishna Ramaswamy 249-252
Ab initio calculations on lithium-bonded dimers: a brief review A B Sannigrahi, Tapas Kar and B Guha Niyogi 253-262
Currents, kinetic energy, and molecular magnetism jR McWeeny 263-273
Direct space symmetry adaptation of crystal orbitals Jean-Louis Calais 275-279
Semi-empirical calculations of static molecular polarizability using CHFT:
some benzene derivatives and aromatic heterocycles
Rana Sen and Subirnath Bhattacharyya 281-284
Geometry optimization of acetonitrile monomer and dimers using *
CNoo/force method
R Brakaspathy and Surjit Singh 285-290

Special Issue on Solid State Chemistry

Foreword   389
The synthesis, crystal growth, and characterization of non-stoichiometric
J M Honig 391-409
Applications of molecular graphics to zeolite catalysts A K Cheetham, A K Nowak and P E Betteridge 411-418
Oxides with a tunnel structure characterized by a mixed framework of
octahedra and tetrahedra
B Raveau 419-448
Synthesis and structure of some interesting oxides of bismuth J Gopalakrishnan 449-458
Metal-hydrazine complexes as precursors to oxide materials K C Patil 459-464
On kinetics of crystal growth from supercooled melt Biman Bagchi and T R Kirkpatrick 465-472
Why are certain substances metallic? CNR Rao and P P Edwards 473-498
Nonlinear conduction and electrical switching in one dimensional
S V Subramanyam and Hemamalini Naik 499-508
Electron-electron interactions in polyacetylene S Ramasesha 509-521
On some aspects of metallisation with special reference to iron group
transition metal oxides
P Ganguly 523-532
Ionic conduction in dispersed solid-electrolytes A K Shukla, N Vaidehi and K T Jacob 533-547
Electrical transport in two phase mixtures V B Tare 549-558
Low temperature properties of glasses-Unsolved problems A K Ray£ha.udhuri 559-564
Magnetic resonance lineshapes in powdered and amorphous systems P Raghunathan and S C Sivasubramanian 565-580
Behaviour of acceptor states in semiconducting BaTiO3 and SrTiO3 TRN Kutty 581-597
The chloro-methyl exchange rule and its violations in the packing of
organic molecular solids
Gautam R Desiraju and Jagarlapudi A R P Sarma 599-605
Subject index   607-614
Author Index   615-617