Libero J. Bartolotti: search on Z-Library

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51

Copper and Zinc Promote Interactions between Membrane-Anchored Peptides of the Metal Binding Domain of the Prion Protein †

Kenward, Angela G., Bartolotti, Libero J., Burns, Colin S.

Journal:

Year:

2007

Language:

english

File:

PDF, 583 KB

english, 2007

52

Atomic Energy Levels

Bartolotti, Libero

Journal:

Journal of the American Chemical Society

Year:

1982

Language:

english

File:

PDF, 160 KB

english, 1982

53

Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

Deshmukh, Milind M., Gadre, Shridhar R., Bartolotti, Libero J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 94 KB

english, 2007

54

An Example Where Orbital Relaxation Is an Important Contribution to the Fukui Function

Bartolotti, Libero J., Ayers, Paul W.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 501 KB

english, 2005

55

Fourth order time-dependent variation perturbation theory based on the hydrodynamic analogy

Bartolotti, Libero J., Mollmann, James C.

Journal:

Molecular Physics

Year:

1979

Language:

english

File:

PDF, 351 KB

english, 1979

56

Improvement in Phosphorescence Efficiency through Tuning of Coordination Geometry of Tridentate Cyclometalated Platinum(II) Complexes

Ravindranathan, Deepak, Vezzu, Dileep A. K., Bartolotti, Libero, Boyle, Paul D., Huo, Shouquan

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

57

Exploring Hydration Patterns of Aldehydes and Amides: Ab Initio Investigations

Kulkarni, Anant D., Babu, K., Gadre, Shridhar R., Bartolotti, Libero J.

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 502 KB

english, 2004

58

Chiral dipole-stabilized anions: experiment and theory in nonbenzylic systems. 100% stereoselective deprotonation and two-electron versus single-electron transfer in the chemistry of lithium and copper piperidinooxazolines [Erratum to document cited in CA110(5):38353v]

Gawley, Robert E., Hart, Georgina C., Bartolotti, Libero J.

Journal:

Journal of Organic Chemistry

Year:

1989

Language:

english

File:

PDF, 129 KB

english, 1989

59

A computational study of acid catalyzed aerosol reactions of atmospherically relevant epoxides

Piletic, Ivan R., Edney, Edward O., Bartolotti, Libero J.

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.24 MB

english, 2013

60

Photochemistry of 6-amino-2-azido, 2-amino-6-azido and 2,6-diazido analogues of purine ribonucleosides in aqueous solutions

Komodziński, Krzysztof, Lepczyńska, Jolanta, Gdaniec, Zofia, Bartolotti, Libero, Delley, Bernard, Franzen, Stefan, Skalski, Bohdan

Journal:

Photochemical & Photobiological Sciences

Year:

2014

Language:

english

File:

PDF, 2.06 MB

english, 2014

61

Prediction of formation constants of metal?ammonia complexes in aqueous solution using density functional theory calculations

Hancock, Robert D., Bartolotti, Libero J.

Journal:

Chemical Communications

Year:

2004

Language:

english

File:

PDF, 111 KB

english, 2004

62

Bare-Nucleus Perturbation Treatment of HeH+

Bartolotti, Libero John

Journal:

The Journal of Chemical Physics

Year:

1968

Language:

english

File:

PDF, 455 KB

english, 1968

63

Exchange-correlation potentials for high-electron-density ions in the Be isoelectronic series

Morrison, Robert C., Bartolotti, Libero J.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 337 KB

english, 2004

64

Erratum: Time-dependent Kohn-Sham density-functional theory

Bartolotti, Libero J.

Journal:

Physical Review A

Year:

1983

File:

PDF, 11 KB

1983

65

Ab initio studies of anionic clusters of water pentamer

Kulkarni, Sudhir A., Bartolotti, Libero J., Pathak, Rajeev K.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 421 KB

english, 2000

66

An experimental and theoretical study of the reactions Na+HCl and Na+DCl

Plane, John M. C., Rajasekhar, B., Bartolotti, Libero

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 1.01 MB

english, 1989

67

Further tests of a scaled local exchange-correlation functional

Zhao, Qingsheng, Bartolotti, Libero J.

Journal:

Physical Review A

Year:

1993

Language:

english

File:

PDF, 158 KB

english, 1993

68

Relationships among the terms in the expansions of the kinetic- and exchange-correlation-energy density functionals

Pathak, Rajeev K., Bartolotti, Libero J.

Journal:

Physical Review A

Year:

1985

Language:

english

File:

PDF, 323 KB

english, 1985

69

Exchange and exchange-correlation functionals based on the gradient correction of the electron gas

Lee, Hsing, Bartolotti, Libero J.

Journal:

Physical Review A

Year:

1991

Language:

english

File:

PDF, 117 KB

english, 1991

70

A new gradient expansion of the exchange energy to be used in density functional calculations on atoms

Bartolotti, Libero J.

Journal:

The Journal of Chemical Physics

Year:

1982

Language:

english

File:

PDF, 478 KB

english, 1982

71

Gradient expansion of the classical Coulomb energy of an atomic charge distribution

Bartolotti, Libero J.

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 389 KB

english, 1981

72

Variationally determined multipole Cauchy moments

Bartolotti, Libero J.

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 630 KB

english, 1980

73

Effect of additional hydrogen peroxide to H[sub 2]O[sub 2]⋯(H[sub 2]O)[sub n], n=1 and 2 complexes: Quantum chemical study

Kulkarni, Anant D., Pathak, Rajeev K., Bartolotti, Libero J.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 513 KB

english, 2006

74

Interrelationships among x-ray scattering, electron densities, and ionization potentials. II. Upper bound results

Hyman, Arthur S., Yaniger, Stuart I., Kramer, Ivan, Bartolotti, Libero J., Liebman, Joel F.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 379 KB

english, 1984

75

Velocity form of the Kohn-Sham frequency-dependent polarizability equations

Bartolotti, Libero J.

Journal:

Physical Review A

Year:

1987

Language:

english

File:

PDF, 113 KB

english, 1987

76

Variation-perturbation theory within a time-dependent Kohn–Sham formalism: An application to the determination of multipole polarizabilities, spectral sums, and dispersion coefficients

Bartolotti, Libero J.

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 824 KB

english, 1984

77

Comments on variational approximations within the hydrodynamic model

Bartolotti, Libero J., Epstein, Saul T.

Journal:

Molecular Physics

Year:

1979

Language:

english

File:

PDF, 135 KB

english, 1979

78

Increased Rigidity in Complexes Formed from Negatively Charged Lariat Ethers and Alkali Metal Cations

Echegoyen, Luis, Parra, Dennisse, Bartolotti, Libero J., Hanlon, Christopher, Gokel, George W.

Journal:

Journal of Coordination Chemistry

Year:

1988

Language:

english

File:

PDF, 306 KB

english, 1988

79

Aerobic oxidation of β-isophorone by tetraphenylporphyrin catalysts in pyridine solution

Burns, Eric, Huang, Tao, Weare, Walter W., Bartolotti, Libero, Wang, Xinyu, Yao, Jia, Li, Haoran, Franzen, Stefan

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2015

Language:

english

File:

PDF, 1.55 MB

english, 2015

80

The quadrapolar character of the Markovnikov reaction transition state

Franzen, Stefan, Cochran, Kristin H., Weng, James, Bartolotti, Libero, Delley, Bernard

Journal:

Chemical Physics

Year:

2016

Language:

english

File:

PDF, 769 KB

english, 2016

81

Utility of the Nudged Elastic Band Method in Identifying the Minimum Energy Path of an Elementary Organometallic Reaction Step

McPherson, Kate E., Bartolotti, Libero J., Morehead, Andrew T., Sargent, Andrew L.

Journal:

Organometallics

Year:

2016

Language:

english

File:

PDF, 1.55 MB

english, 2016

82

Determination of the absolute photolysis cross section of sodium superoxide at 230 K: evidence for the formation of sodium tetroxide in the gas phase

Rajasekhar, B., Plane, John M. C., Bartolotti, Libero

Journal:

Journal of Physical Chemistry

Year:

1989

Language:

english

File:

PDF, 787 KB

english, 1989

83

Theoretical and experimental determination of the lithium and sodium superoxide bond dissociation energies [Erratum to document cited in CA110(18):161238p]

Plane, John M. C., Rajasekhar, B., Bartolotti, Libero.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 140 KB

english, 1990

84

An alternative functional to determine dynamic multipole polarizabilities

Bartolotti, Libero J., Tyrrell, James

Journal:

Molecular Physics

Year:

1978

Language:

english

File:

PDF, 879 KB

english, 1978

85

Kinetic study of the reaction potassium + oxygen + M (M = nitrogen, helium) from 250 to 1103 K

Plane, John M. C., Rajasekhar, B., Bartolotti, Libero.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 924 KB

english, 1990

86

A functional to determine imaginary frequency multipole polarizabilities which lead to long-range dispersion constants

Bartolotti, Libero J., Tyrrell, James

Journal:

Molecular Physics

Year:

1978

Language:

english

File:

PDF, 452 KB

english, 1978

87

The N-terminal of annexin A1 as a secondary membrane binding site: A molecular dynamics study

Donohue, Matthew P., Bartolotti, Libero J., Li, Yumin

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 533 KB

english, 2014

88

The Affinity of Indium(III) for Nitrogen-donor Ligands in Aqueous Solution. A Study of the Complexing of Indium(III) with Polyamines by Differential Pulse Voltammetry, Density Functional Theory, and Crystallography

Harrington, James M, Oscarson, Karen A., Jones, S. Bart, Reibenspies, Joseph H., Bartolotti, Libero J., Hancock, Robert D.

Journal:

Zeitschrift für Naturforschung B

Year:

2007

Language:

english

File:

PDF, 3.69 MB

english, 2007

89

Barrierless Reactions with Loose Transition States Govern the Yields and Lifetimes of Organic Nitrates Derived from Isoprene

Piletic, Ivan, Edney, Edward O., Bartolotti, Libero J.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 2.20 MB

english, 2017

90

Noncovalent Interactions Underlying Binary Mixtures of Amino Acid based Ionic Liquids: Insights from Theory.

Rao, Soniya S, Bartolotti, Libero, Gejji, Shridhar P.

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.65 MB

english, 2017

91

Harmonizing accuracy and efficiency: A pragmatic approach to fragmentation of large molecules

Khire, Subodh S., Bartolotti, Libero J., Gadre, Shridhar R.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 481 KB

english, 2018

92

A Brief Overview of Antimicrobial Peptides Containing Unnatural Amino Acids and Ligand-Based Approaches for Peptide Ligands

Bhonsle, Jayendra, Clark, Tiffany, Bartolotti, Libero, Hicks, Rickey

Journal:

Current Topics in Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 508 KB

english, 2013

93

Multigenerational Theoretical Study of Isoprene Peroxy Radical 1-5 Hydrogen Shift Reactions that Regenerate HO x Radicals and Produce Highly Oxidized Molecules

Piletic, Ivan R., Howell, Richard, Bartolotti, Libero J., Kleindienst, Tadeusz Edward, Kaushik, Surender M., Edney, Edward O.

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 1.09 MB

english, 2018

94

Theoretical Probe to the Mechanism of Pt-Catalyzed C–H Acylation Reaction: Possible Pathways for the Acylation Reaction of a Platinacycle

Warden, Elizabeth, Bartolotti, Libero, Huo, Shouquan, Li, Yumin

Journal:

Inorganic Chemistry

Year:

2019

File:

PDF, 1.88 MB

2019

95

Impact of Local Electrostatics on the Redox Properties of Tryptophan Radicals in Azurin: Implications for Redox-Active Tryptophans in Proton-Coupled Electron Transfer

Tyson, Kristin J., Davis, Amanda N., Norris, Jessica L., Bartolotti, Libero J., Hvastkovs, Eli G., Offenbacher, Adam R.

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 483 KB

2020

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