"MOLECULAR PROPERTIES" IN INTENSE MAGNETIC FIELDCHANDRA SINGH U.1979; Z. NATURFORSCH., A; DEU; DA. 1979; VOL. 34; NO 6; PP. 782-784; BIBL. 18 REF.Article

DECOMPOSITION OF PEROXODISULPHATE IN AQUEOUS ALKALINE SOLUTIONCHANDRA SINGH U; VENKATARAO K.1976; J. INORG. NUCL. CHEM.; G.B.; DA. 1976; VOL. 38; NO 3; PP. 541-543; BIBL. 5 REF.Article

LONE-PAIR INTERACTIONS IN MOLECULESCHANDRA SINGH U; BASU PK; RAO CNR et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 87; NO 2; PP. 125-132; BIBL. 19 REF.Article

CONFIGURATION MIXING IN THE S-HOLE STATES OF METAL IONSCHANDRA SINGH U; SARMA DD; RAO CNR et al.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 85; NO 3; PP. 278-282; BIBL. 15 REF.Article

MOLECULAR COMPLEXES OF P-BENZOQUINONECHLORIMIDES WITH AROMATIC PI -DONORSVENUVANALINGAM P; CHANDRA SINGH U; SUBBARATNAM NR et al.1981; SPECTROCHIM. ACTA, A; ISSN 0584-8539; GBR; DA. 1981; VOL. 37; NO 7; PP. 505-510; BIBL. 17 REF.Article

Energy component analysis calculations on interactions involving I₂ and HICHANDRA SINGH, U; KOLLMAN, P.Journal of physical chemistry (1952). 1983, Vol 87, Num 26, pp 5386-5388, issn 0022-3654Article

SEMI-EMPIRICAL MO-CALCULATIONS ON THE ELECTRONIC SPECTRA OF BENZOQUINONECHLORIMIDESVENUVANALINGAM P; CHANDRA SINGH U; SUBBARATNAM NR et al.1980; SPECTROCHIM. ACTA, A; GBR; DA. 1980; VOL. 36; NO 1; PP. 103-107; BIBL. 16 REF.Article

POLYMERIZATION OF METHACRYLIC ACID INITIATED BY PEROXODISULFATE IN AQUEOUS SOLUTIONMANICKAM SP; VENKATARAO K; CHANDRA SINGH U et al.1978; J. POLYM. SCI., POLYM. CHEM. ED.; USA; DA. 1978; VOL. 16; NO 10; PP. 2701-2702; BIBL. 4 REF.Article

SEMI-EMPIRICAL MO-CALCULATIONS ON THE ELECTRONIC SPECTRA OF AZIDO SUBSTITUTED P-BENZOQUINONESCHANDRA SINGH U; RAMACHANDRAN MS; SUBBARATNAM NR et al.1979; SPECTROCHIM. ACTA, A; GBR; DA. 1979; VOL. 35; NO 6; PP. 663-667; BIBL. 14 REF.Article

INTERACTION OF ALPHA -TOCOPHEROL HIGH DIPHENYLPICRYL HYDRAZUL A MEANS TO DETERMINE THE POLARITY OF THE ENVIRONMENT AROUND ALPHA -TOCOPHEROL AND ITS BINDING WITH LIPIDSMURALIKRISHNA RAO A; CHANDRA SINGH U; RAO CNR et al.1982; BIOCHIM. BIOPHYS. ACTA; ISSN 0006-3002; NLD; DA. 1982; VOL. 711; NO 1; PP. 134-137; BIBL. 10 REF.Article

Molecular mechanical studies of inclusion of alkali cations into anisole spherandsKOLLMAN, P. A; WIPFF, G; CHANDRA SINGH, U et al.Journal of the American Chemical Society. 1985, Vol 107, Num 8, pp 2212-2219, issn 0002-7863Article

Ab initio calculations on the structure and nature of the hydrogen bonded complex H₂S...HFCHANDRA SINGH, U; KOLLMAN, P. A.The Journal of chemical physics. 1984, Vol 80, Num 1, pp 353-355, issn 0021-9606Article

NON-BONDED INTERACTIONS IN 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDITHIONE AND 2,2,4,4-TETRAMETHYL-3-THIO-1,3-CYCLOBUTANEDIONEBASU PK; CHANDRA SINGH U; TANTRY KN et al.1981; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1981; VOL. 76; NO 3; PP. 237-250; BIBL. 15 REF.Article

A combined ab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: applications to the CH₃Cl+Cl^- exchange reaction and gas phase protonation of polyethersCHANDRA SINGH, U; KOLLMAN, P. A.Journal of computational chemistry. 1986, Vol 7, Num 6, pp 718-730, issn 0192-8651Article

An approach to computing electrostatic charges for moleculesCHANDRA SINGH, U; KOLLMAN, P. A.Journal of computational chemistry. 1984, Vol 5, Num 2, pp 129-145, issn 0192-8651Article

Molecular mechanics simulations on covalent complexes between anthramycin and B DNARAO, S. N; CHANDRA SINGH, U; KOLLMAN, P. A et al.Journal of medicinal chemistry (Print). 1986, Vol 29, Num 12, pp 2484-2492, issn 0022-2623Article

Simulation of formamide hydrolysis by hydroxide ion in the gas phase and in aqueous solutionWEINER, S. J; CHANDRA SINGH, U; KOLLMAN, P. A et al.Journal of the American Chemical Society. 1985, Vol 107, Num 8, pp 2219-2229, issn 0002-7863Article

Conformations of the noncovalent and covalent complexes between mitomycins A and C and d(GCGCGCGCGC)₂RAO, S. N; CHANDRA SINGH, U; KOLLMAN, P. A et al.Journal of the American Chemical Society. 1986, Vol 108, Num 8, pp 2058-2068, issn 0002-7863Article

Calculation of the relative change in binding free energy of a protein-inhibitor complexBASH, P. A; CHANDRA SINGH, U; BROWN, F. K et al.Science (Washington, D.C.). 1987, Vol 235, Num 4788, pp 574-576, issn 0036-8075Article

Many-body potential for molecular interactionsHOWARD, A. E; CHANDRA SINGH, U; BILLETER, M et al.Journal of the American Chemical Society. 1988, Vol 110, Num 21, pp 6984-6991, issn 0002-7863Article

Conformations of complexes between mitomycin and decanucleotides. II: Application of the model to mitomycin C derivatives. Extension to covalent binding with adenineREMERS, W. A; RAO, S. N; CHANDRA SINGH, U et al.Journal of medicinal chemistry (Print). 1986, Vol 29, Num 7, pp 1256-1263, issn 0022-2623Article

A theoretical study on intramolecular Diels-Alder and 1,3-dipolar cycloaddition stereoselectivity using ab initio methods, semiempirical methods, and a tandem quantum mechanic-molecular mechanic methodBROWN, F. K; CHANDRA SINGH, U; KOLLMAN, P. A et al.Journal of organic chemistry. 1992, Vol 57, Num 18, pp 4862-4869, issn 0022-3263Article

Structures of the (+)- and (-)-trans-7,8-dihydroxy-anti-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene adducts to guanine-N² in a duplex dodecamerSINGH, S. B; HINGERTY, B. E; CHANDRA SINGH, U et al.Cancer research (Baltimore). 1991, Vol 51, Num 13, pp 3482-3492, issn 0008-5472, 11 p.Article

Thermodynamic and conformational characterization of 5-methycytosine- versus cytosine-substituted oligomers in DNA triple helices : ab initio quantum mechanical and free energy perturbation studiesHAUSHEER, F. H; CHANDRA SINGH, U; SAXE, J. D et al.Journal of the American Chemical Society. 1992, Vol 114, Num 13, pp 5356-5362, issn 0002-7863Article