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INTRAMOLECULAR NONBONDED ATTRACTIONS IN MOLECULES.KOLLMAN P.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 14; PP. 4363-4369; BIBL. 34 REF.Article

THEORETICAL STUDIES OF THE K+ AFFINITIES OF BASES: A COMPARISON OF K+ AND LI+ AFFINITIES.KOLLMAN P.1978; CHEM. PHYS. LETTERS; NETHERL.; DA. 1978; VOL. 55; NO 3; PP. 555-559; BIBL. 16 REF.Article

A GENERAL ANALYSIS OF NONCOVALENT INTERMOLECULAR INTERACTIONS.KOLLMAN P.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 15; PP. 4875-4894; BIBL. 83 REF.Article

HYDRATION OF NH4F.KOLLMAN P; KUNTZ I.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 22; PP. 6820-6825; BIBL. 33 REF.Article

Applications of computer simulation approaches to proteins and nucleic acidsKOLLMAN, P.Fresenius' Zeitschrift für analytische Chemie. 1990, Vol 337, Num 1, issn 0016-1152, p. 3Conference Paper

THEORETICAL STUDIES OF BASICITY. PROTON AFFINITIES, LI+ AFFINITIES, AND H-BOND AFFINITIES OF SOME SIMPLE BASES.KOLLMAN P; ROTHENBERG S.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 5; PP. 1333-1342; BIBL. 42 REF.Article

AB INITIO SELF-CONSISTENT FIELD CALCULATIONS ON I2-NH3 AND HI-NH3. THE CLASSIC "CHARGE-TRANSFER" INTERACTION, AN EXAMPLE OF GAS-PHASE PROTON TRANSFER, AND THE DUALITY OF LEWIS ACID SITES ON HIKOLLMAN P; DEARING A; KOCHANSKI B et al.1982; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1982; VOL. 86; NO 9; PP. 1607-1610; BIBL. 23 REF.Article

A NOVEL CLASS OF MOLECULAR COMPLEXES: LI-NH3, LI-H2O,LI-HF,LI-H2S,NA-H2O, AND NA-HF.TRENARY M; SCHAEFER HF III; KOLLMAN P et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 11; PP. 3885-3886; BIBL. 18 REF.Article

A MOLECULAR MECHANICS STUDY OF 18-CROWN-6 AND ITS ALKALI COMPLEXES: AN ANALYSIS OF STRUCTURAL FLEXIBILITY, LIGAND SPECIFICITY, AND THE MACROCYCLIC EFFECTWIPFF G; WEINER P; KOLLMAN P et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 12; PP. 3249-3258; BIBL. 55 REF.Article

AN AB INITIO MOLECULAR ORBITAL STUDY OF INTRAMOLECULAR H-BONDING: 1,3 PROPANEDIOLJOHANSSON A; KOLLMAN P; ROTHENBERG S et al.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 18; NO 2; PP. 276-279; BIBL. 11 REF.Serial Issue

THE NH2 SUBSTITUENT EFFECT ON THE PROPERTIES OF IONIC COMPOUNDS.KOLLMAN P; MCKELVEY J; GUND P et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 7; PP. 1640-1645; BIBL. 26 REF.Article

THE STRUCTURE AND RELATIVE ENERGIES OF C2H2X+ ISOMERS (X=F, OH, NH2, CL AND SH)KOLLMAN P; NELSON S; ROTHENBERG S et al.1978; J. PHYS. CHEM.; USA; DA. 1978; VOL. 82; NO 12; PP. 1403-1406; BIBL. 20 REF.Article

AN APPLICATION OF THE FUNCTIONAL BOYS-BERNARDI COUNTERPOISE METHOD TO MOLECULAR POTENTIAL SURFACESJOHANSSON A; KOLLMAN P; ROTHENBERG S et al.1973; THEOR. CHIM. ACTA; ALLEM.; DA. 1973; VOL. 29; NO 2; PP. 167-172; ABS. ALLEM.; BIBL. 10 REF.Serial Issue

What determines the strength of noncovalent association of ligands to proteins in aqueous solution ?MIYAMOTO, S; KOLLMAN, P. A.Proceedings of the National Academy of Sciences of the United States of America. 1993, Vol 90, Num 18, pp 8402-8406, issn 0027-8424Article

Conformational sampling and ensemble generation by molecular dynamics simulations : 18-crown-6 as a test caseYAXIONG SUN; KOLLMAN, P. A.Journal of computational chemistry. 1992, Vol 13, Num 1, pp 33-40, issn 0192-8651Article

Determination of solvation free energy using molecular dynamics with solute Cartesian mapping : an application to the solvation of 18-crown-6SUN, Y; KOLLMAN, P. A.The Journal of chemical physics. 1992, Vol 97, Num 7, pp 5108-5112, issn 0021-9606Article

SETTLE : an analytical version of the SHAKE and RATTLE algorithm for rigid water modelsMIYAMOTO, S; KOLLMAN, P. A.Journal of computational chemistry. 1992, Vol 13, Num 8, pp 952-962, issn 0192-8651Article

Energy component analysis calculations on neutral atom... base interactionsCHANDRA SINGH, U; KOLLMAN, P.Journal of computational chemistry. 1985, Vol 6, Num 1, pp 5-8, issn 0192-8651Article

Conformational and energetics effects of truncating nonbonded interactions in an aqueous protein dynamics simulationGUENOT, J; KOLLMAN, P. A.Journal of computational chemistry. 1993, Vol 14, Num 3, pp 295-311, issn 0192-8651Article

On the role of uniform and mixed sugar puckers in DNA double-helical structuresRAO, S. N; KOLLMAN, P.Journal of the American Chemical Society. 1985, Vol 107, Num 6, pp 1611-1617, issn 0002-7863Article

A MOLECULAR MECHANICAL STUDY OF COMPLEXES FORMED BETWEEN 4-NITROQUINOLINE-N-OXIDE AND DINUCLEOSIDE PHOSPHATESLYBRAND T; DEARING A; WEINER P et al.1981; NUCLEIC ACIDS RES.; ISSN 0305-1048; GBR; DA. 1981; VOL. 9; NO 24; PP. 6995-7011; BIBL. 22 REF.Article

A MOLECULAR ORBITAL STUDY OF THE BENZENE OXIDE-OXEPIN VALENCE ISOMERIZATIONHAYES DM; NELSON SD; GARLAND WA et al.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 4; PP. 1255-1262; BIBL. 21 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

THEORETICAL STUDIES OF HYDROGEN-BONDED DIMERS. COMPLEXES INVOLVING HF, H2O, NH3, HCL, H2S, PH3, HCN, HNC, CH2NH, H2CS, H2CO, CH4, CF3H, C2H2, C2H4, C6H6, F- AND H3O+.KOLLMAN P; MCKELVEY J; JOHANSSON A et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 5; PP. 955-965; BIBL. DISSEM.Article

Pathways to a protein folding intermediate observed in a 1-microsecond simulation in aqueous solutionYONG DUAN; KOLLMAN, P. A.Science (Washington, D.C.). 1998, Vol 282, Num 5389, pp 740-744, issn 0036-8075Article

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