D. Rai

发表

Infrared, Raman and electronic spectra of alanine: A comparison with ab intio calculation

V. Singh, S. Rai, Santosh Kumar, 2006 .

Investigation of the double-well potential of the NH⋯N hydrogen bond of the guanine-cytosine base pair for different NN distances☆

J. Ladik, D. Rai, 1968 .

Photoacoustic studies on excitation transfer in Rh6G and RhB dye mixture

V. Rai, S. Thakur, D. Rai, 1984 .

Bond order-bond length relationship in all-valence-electron molecular orbital theory

P. Mishra, D. Rai, 1972 .

Simple AMO Function for the Lithium Molecule

J. Calais, D. Rai, 1967 .

Breit-type three-electron equation in the Pauli approximation

J. Ladik, D. Rai, 1977 .

Ultraviolet spectra and structure of the isomeric dihydroxy- and diamino-substituted benzenes

P. Mishra, J. Yadav, D. Rai, 1972 .

Variable electronegativity SCF-MO calculations on the electronic structure and spectra of some substituted benzenes I. Monosubstitutions

P. Mishra, D. Rai, 1972 .

Excited state properties of some substituted benzenes from SCF-MO theory

P. Mishra, D. Rai, 1970 .

Pariser-Parr-Pople type SCF-MO-CI calculations on pentafluorobenzenes

C. Khetrapal, D. Rai, 1969 .

Semiempirical SCF LCAO crystal orbital calculation of the energy band structure of the homopolynucleotides

J. Ladik, K. Appel, D. Rai, 1968 .

Molecular force fields for some anions and molecules of MX6 type (X = Cl, Br)

S. Thakur, D. Rai, S. Rai, 1971 .

Vibrational Spectra and Thermodynamic Functions of the Three Isomeric Methoxyphenols

D. Rai, K. Nair, V. N. Verma, 1970 .

Molecular orbital study of excited state geometry of substituted benzenes

P. Mishra, D. Rai, 1972 .

Effect of thiobase incorporation into duplex DNA during the polymerization reaction.

K. Singh, B. Groth-Vasselli, P. Farnsworth, 1996, Research communications in molecular pathology and pharmacology.

Photoacoustic Studies on Neutron-Irradiated Rare Earth Oxide Powers

V. Rai, S. Thakur, D. Rai, 1986 .

CNDO-CI study of electronic structure and molecular geometry in ground and excited states

P. Mishra, J. Yadav, D. Rai, 1973 .

Vibrational assignment of the normal modes of 2-phenyl-4-(4-methoxy benzylidene)-2-oxazolin-5-one via FTIR and Raman spectra, and ab inito calculations.

V. Singh, A. Singh, A. K. Rai, 2007, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Excitation of autoionizing levels in the collision of electrons with alkali-metal atoms

R. Srivastava, D. Rai, 1977 .

Electron impact excitation of auto-ionizing level in Cs

D. Rai, S. N. Tiwary, 1973 .

IMPORTANCE OF THE KINETIC ENERGY EXPRESSION FOR THE BOUND ELECTRON IN THE BINARY COLLISION THEORY OF IONIZATION.

D. Rai, D. N. Tripathi, 1971 .

Importance of the kinetic-energy expression for a bound electron in classical theory

D. N. Tripathi, D. Rai, 1970 .

Ionization of alkali‐metal atoms by He+ impact

D. Rai, S. N. Tiwary, 1978 .

Excitation of the autoionizing level in Zn I and Cd. I

D. Rai, S. N. Tiwary, 1976 .

Electron impact excitation of the lowest autoionizing level in alkali metal atoms

D. Rai, S. N. Tiwary, 1975 .

Two-electron excitation in helium-like ions by electron impact

D. Rai, B. Padhy, 1990 .

Proton Impact Double Ionization of Noble Gas Atoms

D. Rai, B. N. Roy, D. N. Tripathi, 1972 .

Potential-energy curves for O2+, N2+, and CO+

R. Singh, D. Rai, 1966 .

Differential Electron Impact Cross Section of the a3Π Electronic Excitation of CO Near Threshold

H. Ehrhardt, K. Jung, J. Zobel, 1994 .

Two-photon optogalvanic detection of theF′(Ou+) ion pair state of I2

Vinod Kumar, A. K. Rai, D. Rai, 1988 .

Laser optogalvanic spectrum of pure bromine discharge

Vinod Kumar, D. Rai, A. Rai, 1987 .

Conformational search for zwitterionic leucine and hydrated conformers of both the canonical and zwitterionic leucine using the DFT-CPCM model

Zijing Lin, Xuee Xu, A. K. Rai, 2011 .

Ab-initio and density functional study of L- and D-forms of alanine and serine in gas phase and bulk aqueous medium.

Anup Kumar, A. Singh, A. K. Rai, 2006, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

Angular distribution of electrons ejected by proton impact on neutral atoms

R. Srivastava, D. Rai, 1978 .

A New Band System in the Emission Spectrum of Diatomic Bismuth

D. Rai, K. Nair, Jagadish Singh, 1971 .

Dissociation Energies of S2, SO, Te2, SeO and P2 Molecules

D. Rai, B. Rai, Jagadish Singh, 1971 .

Potential energy curves and dissociation energies of diatomic boron and aluminium halides

D. Rai, K. Nair, Jagadish Singh, 1970 .

Electronegativity potential energy curves for diatomic molecules

D. Rai, K. Nair, Jagadish Singh, 1970 .

Rotational analysis of the electronic bands of p-fluoroaniline

S. Thakur, S. Tiwari, D. Rai, 1970 .

L-shell/subshell ionization of Au, Pb and Bi by low energy proton impact

D. Rai, K. Pandey, D. N. Tripathi, 1993 .

Electron-impact excitation of H and He

R. Srivastava, D. Rai, 1978 .

2 /sup 1/S excitation of the helium atom

C. Singh, R. Srivastava, D. Rai, 1983 .

Exchange excitation of helium by electron impact

S. P. Ojha, D. Rai, P. Tiwari, 1972 .

Maximum Ionization Cross Section of Atoms

M. L. Rustgi, D. Rai, P. Tiwari, 1969 .

Ultraviolet spectra and structure of the isomeric fluoro and chloro toluenes

P. Mishra, S. Thakur, D. Rai, 1971 .

On the changes in molecular geometry with electronic excitation

P. Mishra, D. Rai, S. Thakur, 1971 .

Application of classical collision theory to electron impact double ionization of atoms

D. Rai, B. N. Roy, 1973 .

Vibrational Spectra of Isomeric Aminophenols

D. Rai, V. N. Verma, 1970 .

Potential‐Energy Curves and Dissociation Energies of Oxides and Sulfides of Group IV A Elements

R. Singh, D. Rai, K. Nair, 1965 .

Electronic transition moment variation in D1Π-X1 Σ system of SnO molecule and determination of the effective vibrational temperature

D. Rai, P. Dube, 1971 .

Infrared and Raman spectra of Histidine: an ab initio DFT calculations of Histidine molecule and its different protonated forms

Santosh Kumar, A. K. Rai, D. Rai, 2010 .

On the Dissociation Energy of S2 and SO Molecules

A. Singh, D. Rai, 1965 .

ON THE POTENTIAL ENERGY CURVES OF AgH, AgCl, AND AgI

R. Singh, D. Rai, 1965 .

Potential energy curves and dissociation energies of diatomic fluorides and chlorides of gallium, indium and thallium

D. Rai, K. Nair, Jagadish Singh, 1971 .

Internuclear potential curves for BO, IO and ClO

R. Singh, D. Rai, 1965 .

FORCE CONSTANTS OF METAL HEXAFLUORIDES

S. Thakur, D. Rai, 1966 .

Cross sections for ionization of ions by electron impact

D. Rai, D. N. Tripathi, 1971 .

Electron impact ionisation of alkaline earths

D. Rai, B. N. Roy, 1983 .

Electron-impact double-electron excitation and autoionization in alkaline earths

R. Srivastava, D. Rai, 1977 .

Cross Section for Double Ionization by Electron Impact: Li+, Na+, K+

D. Rai, D. N. Tripathi, 1971 .

Electron impact excitation of hydrogen and helium in Coulomb-projected Born methods

C. Singh, D. Rai, 1987 .

Excitation of the lowest autoionising states in alkalis

C. Singh, R. Srivastava, D. Rai, 1982 .

Electron-impact ionization of alkali metals

D. Rai, B. N. Roy, 1973 .

Proton impact excitation of the low lying autoionizing levels in the heavier alkali atoms

R. Srivastava, D. Rai, 1976 .

The effect of exchange in autoionization processes

C. Singh, D. Rai, J. P. Mohanty, 1985 .

ELECTRON IMPACT DOUBLE IONIZATION OF NOBLE GAS ATOMS.

D. Rai, B. N. Roy, D. N. Tripathi, 1972 .

MINDO/3 and MNDO evaluation of bond orders and valence indices in uracil and 2-thiouracil

D. Rai, R. Rai, KH Singh, 1991 .

MINDO/3 and MNDO studies of some thio analogues of nucleic acid bases

J. Yadav, D. Rai, KH Singh, 1991 .

Calculation of molecular dipole moments using CNDO and INDO methods

P. Mishra, J. Yadav, D. Rai, 1972 .

Quantum chemical studies on the conformational structure of bacterial peptidoglycans and action of penicillin on cell wall

D. Rai, S. Rai, A. Rai, 2003 .

Conformational studies of bacterial peptidoglycan: structure and stereochemistry of N-acetyl-β-d-glucosamine and N-acetyl-β-d-muramic acid

J. Yadav, D. Rai, P. Yadav, 1989 .

Electronic transition-moment variation in the B1 − X1Σ+ system of PbO and determination of the effective vibrational temperature

K. Upadhya, D. Rai, P. Dube, 1970 .

Ultraviolet Absorption Spectrum of Toluene-D8

K. Upadhya, D. Rai, P. Upadhya, 1971 .

POTENTIAL ENERGY CURVES AND DISSOCIATION PRODUCTS OF THE K2 MOLECULE

D. Rai, A. Tripathi, 1964 .

Force constants and mean amplitudes for some anions of MX6 type (X=F, Cl, Br)

S. Thakur, D. Rai, D. V. P. Rao, 1970 .

Electronic Absorption Spectra of Benzylchloride Vapor

D. Rai, K. Nair, R. Amma, 1969 .

ELECTRONIC IONIZATION AND RECOMBINATION COEFFICIENTS FOR ATMOSPHERIC MOLECULES. I. ELECTRON IMPACT IONIZATION CROSS-SECTIONS.

D. Rai, V. N. Sharma, D. N. Tripathi, 1971 .