William L. Hase: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

51

Importance of Shattering Fragmentation in the Surface-Induced Dissociation of Protonated Octaglycine

Kyoyeon Park, Bipasha Deb, Kihyung Song, William L. Hase

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2009

Language:

english

File:

PDF, 1.16 MB

english, 2009

52

Transition state analysis: Bent out of shape

Barnes, George L., Hase, William L.

Journal:

Nature Chemistry

Year:

2009

Language:

english

File:

PDF, 945 KB

english, 2009

53

Computer simulation of sliding hydroxylated alumina surfaces

David J. Mann, William L. Hase

Journal:

Tribology Letters

Year:

1999

Language:

english

File:

PDF, 155 KB

english, 1999

54

Intermolecular Potential To Represent Collisions of Protonated Peptide Ions with Fluorinated Alkane Surfaces†

Hase, William L., Wang, Jiangping

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 177 KB

english, 2005

55

RRKM and non-RRKM behavior in chemical activation and related studies

Marcus, R. A., Hase, William L., Swamy, Kandadai

Journal:

Journal of Physical Chemistry

Year:

1984

Language:

english

File:

PDF, 500 KB

english, 1984

56

Classical trajectory simulations of post-transition state dynamics

Lourderaj, Upakarasamy, Park, Kyoyeon, Hase, William L.

Journal:

International Reviews in Physical Chemistry

Year:

2008

Language:

english

File:

PDF, 1.96 MB

english, 2008

57

Theoretical and Computational Studies of Non-RRKM Unimolecular Dynamics†

Lourderaj, Upakarasamy, Hase, William L.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.52 MB

english, 2009

58

Singlet and triplet potential surfaces for the O[sub 2]+C[sub 2]H[sub 4] reaction

Park, Kyoyeon, West, Aaron, Raheja, Erica, Sellner, Bernhard, Lischka, Hans, Windus, Theresa L., Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.80 MB

english, 2010

59

Isomerisation of deuterated cyclopropanes — The possibility for stereochemical control

Kim Bolton, William L. Hase, Charles Doubleday Jr.

Journal:

Berichte der Bunsengesellschaft für physikalische Chemie

Year:

1997

Language:

english

File:

PDF, 959 KB

english, 1997

60

O

Aaron C. West, Joseph D. Lynch, Bernhard Sellner, Hans Lischka, William L. Hase, Theresa L. Windus

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 931 KB

english, 2012

61

Intermolecular potentials for simulations of collisions of SiNCS+ and (CH3)2SiNCS+ ions with fluorinated self-assembled monolayers

Juan José Nogueira, Antonio Sánchez-Coronilla, Jorge M.C. Marques, William L. Hase, Emilio Martínez-Núñez, Saulo A. Vázquez

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.38 MB

english, 2012

62

Collision induced dissociation of protonated urea with N2: Effects of rotational energy on reactivity and energy transfer via chemical dynamics simulations

Yannick Jeanvoine, Marie-Pierre Gaigeot, William L. Hase, Kihyung Song, Riccardo Spezia

Journal:

International Journal of Mass Spectrometry

Year:

2011

Language:

english

File:

PDF, 1.64 MB

english, 2011

63

Surface energy transfer by low energy polyatomic ion collisions

Luke Hanley, Hanjo Lim, David G. Schultz, Samuel B. Wainhaus, Pascal de Sainte Claire, William L. Hase

Journal:

Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

Year:

1997

Language:

english

File:

PDF, 509 KB

english, 1997

64

Direct dynamics simulation of dioxetane formation and decomposition via the singlet [middle dot]O–O–CH2–CH2[middle dot] biradical: Non-RRKM dynamics

Sun, Rui, Park, Kyoyeon, de Jong, Wibe A., Lischka, Hans, Windus, Theresa L., Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.50 MB

english, 2012

65

Potential energy surface and unimolecular dynamics of stretched n-butane

Lourderaj, Upakarasamy, McAfee, Jason L., Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 986 KB

english, 2008

66

A model analytic potential energy function for formyl radical decomposition

Cho, Seon Woog., Hase, William L., Swamy, Kandadai N.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 883 KB

english, 1990

67

Direct dynamics determination of the reaction pathways for decomposition of the cross-linked epoxy resin constituent CH3NHCHCHCH3

Li Yang, Rui Sun, William L. Hase

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 513 KB

english, 2012

68

Mechanism of Thiolate-Disulfide Exchange: Addition–Elimination or Effectively S N 2? Effect of a Shallow Intermediate in Gas-Phase Direct Dynamics Simulations

Paranjothy, Manikandan, Siebert, Matthew R., Hase, William L., Bachrach, Steven M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 332 KB

english, 2012

69

F − + CH 3 I → FCH 3 + I − Reaction Dynamics. Nontraditional Atomistic Mechanisms and Formation of a Hydrogen-Bonded Complex

Zhang, Jiaxu, Mikosch, Jochen, Trippel, Sebastian, Otto, Rico, Weidemüller, Matthias, Wester, Roland, Hase, William L.

Journal:

The Journal of Physical Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 968 KB

english, 2010

70

Trajectory Studies of SN2 Nucleophilic Substitution. 4. Intramolecular and Unimolecular Dynamics of the Cl----CH3Br and ClCH3---Br- Complexes

Wang, Haobin, Peslherbe, Gilles H., Hase, William L.

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.04 MB

english, 1994

71

Identifying trapping desorption in gas–surface scattering

Tianying Yan, William L Hase, John R Barker

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 327 KB

english, 2000

72

Energy transfer pathways in the collisional activation of peptides

Oussama Meroueh, William L Hase

Journal:

International Journal of Mass Spectrometry

Year:

2000

Language:

english

File:

PDF, 348 KB

english, 2000

73

Comparison of models for treating angular momentum in RRKM calculations with vibrator transition states: pressure and temperature dependence of chlorine atom + acetylene association

Zhu, Ling, Chen, Wei, Hase, William L., Kaiser, E. W.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 1.45 MB

english, 1993

74

Ab Initio and Analytic Intermolecular Potentials for Ar−CF 4†

Vayner, Grigoriy, Alexeev, Yuri, Wang, Jiangping, Windus, Theresa L., Hase, William L.

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 137 KB

english, 2006

75

Direct Dynamics Simulations of the Product Channels and Atomistic Mechanisms for the OH – + CH 3 I Reaction. Comparison with Experiment

Xie, Jing, Sun, Rui, Siebert, Matthew R., Otto, Rico, Wester, Roland, Hase, William L.

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.24 MB

english, 2013

76

A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules

Miller, William H., Hase, William L., Darling, Cynthia L.

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 724 KB

english, 1989

77

Molecular Dynamics Simulation of Nanoparticle Self-Assembly at a Liquid−Liquid Interface

Luo, Mingxiang, Mazyar, Oleg A., Zhu, Qing, Vaughn, Mark W., Hase, William L., Dai, Lenore L.

Journal:

Year:

2006

Language:

english

File:

PDF, 321 KB

english, 2006

78

Direct chemical dynamics simulations: coupling of classical and quasiclassical trajectories with electronic structure theory

Paranjothy, Manikandan, Sun, Rui, Zhuang, Yu, Hase, William L.

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2013

Language:

english

File:

PDF, 690 KB

english, 2013

79

Current status of transition-state theory

Truhlar, Donald G., Hase, William L., Hynes, James T.

Journal:

Journal of Physical Chemistry

Year:

1983

Language:

english

File:

PDF, 2.92 MB

english, 1983

80

Reaction Products with Internal Energy beyond the Kinematic Limit Result from Trajectories Far from the Minimum Energy Path: An Example from H + HBr → H 2 + Br

Pomerantz, Andrew E., Camden, Jon P., Chiou, Albert S., Ausfelder, Florian, Chawla, Navdeep, Hase, William L., Zare, Richard N.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 59 KB

english, 2005

81

Theory and Applications of Computational Chemistry || Role of computational chemistry in the theory of unimolecular reaction rates

Hase, William L.

Year:

2005

Language:

english

File:

PDF, 5.91 MB

english, 2005

82

Ab initio classical trajectories on the Born–Oppenheimer surface: Hessian-based integrators using fifth-order polynomial and rational function fits

Millam, John M., Bakken, Vebjo̸rn, Chen, Wei, Hase, William L., Schlegel, H. Bernhard

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 355 KB

english, 1999

83

Trajectory Studies of S N 2 Nucleophilic Substitution. 8. Central Barrier Dynamics for Gas Phase Cl - + CH 3 Cl

Sun, Lipeng, Hase, William L., Song, Kihyung

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 124 KB

english, 2001

84

Ab Initio Direct Dynamics Study of Cyclopropyl Radical Ring-Opening

Mann, David J., Hase, William L.

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 62 KB

english, 2002

85

Properties of canonical variational transition state theory for association reactions without potential energy barriers

Hu, Xiche, Hase, William L.

Journal:

Journal of Physical Chemistry

Year:

1989

Language:

english

File:

PDF, 1.11 MB

english, 1989

86

Reaction path and variational transition state theory rate constant for Li++H2O→Li+(H2O) association

Mondro, Sandra L., Vande Linde, Scott, Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 661 KB

english, 1986

87

Comparison of Cluster, Slab, and Analytic Potential Models for the Dimethyl Methylphosphonate (DMMP)/TiO 2 (110) Intermolecular Interaction

Yang, Li, Tunega, Daniel, Xu, Lai, Govind, Niranjan, Sun, Rui, Taylor, Ramona, Lischka, Hans, DeJong, Wibe A., Hase, William L.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.82 MB

english, 2013

88

Transition state dynamics and a QM/MM model for the Cl + C 2 H 5 Cl S N 2 reaction

Sun, Lipeng, Chang, Eunkyung, Song, Kihyung, Hase, William L

Journal:

Canadian Journal of Chemistry

Year:

2004

Language:

english

File:

PDF, 367 KB

english, 2004

89

A Zwitterionic Carbanion Frustrated by Boranes – Dihydrogen Cleavage with Weak Lewis Acids via an “Inverse” Frustrated Lewis Pair Approach

Li, Hui, Aquino, Adelia J. A., Cordes, David B., Hung-Low, Fernando, Hase, William L., Krempner, Clemens

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 957 KB

english, 2013

90

Theoretical Investigation of Mechanisms for the Gas-Phase Unimolecular Decomposition of DMMP

Yang, Li, Shroll, Robert M., Zhang, Jiaxu, Lourderaj, U., Hase, William L.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.61 MB

english, 2009

91

Comparison of Levels of Electronic Structure Theory in Direct Dynamics Simulations of C 2 H 5 F → HF + C 2 H 4 Product Energy Partitioning †

Dong, Eunjung, Setser, Donald W., Hase, William L., Song, Kihyung

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 88 KB

english, 2006

92

Ab initio direct dynamics trajectory simulation of C[sub 2]H[sub 5]F→C[sub 2]H[sub 4]+HF product energy partitioning

Sun, Lipeng, Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 440 KB

english, 2004

93

Ab Initio Modeling of Excitonic and Charge-Transfer States in Organic Semiconductors: The PTB1/PCBM Low Band Gap System

Borges, Itamar, Aquino, Adélia J. A., Köhn, Andreas, Nieman, Reed, Hase, William L., Chen, Lin X., Lischka, Hans

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 421 KB

english, 2013

94

Chemical Dynamics Simulations of X – + CH 3 Y → XCH 3 + Y – Gas-Phase S N 2 Nucleophilic Substitution Reactions. Nonstatistical Dynamics and Nontraditional Reaction Mechanisms

Manikandan, Paranjothy, Zhang, Jiaxu, Hase, William L.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.76 MB

english, 2012

95

Trajectory Studies of S N 2 Nucleophilic Substitution. 5. Semiempirical Direct Dynamics of Cl - - - -CH 3 Br Unimolecular Decomposition

Peslherbe, Gilles H., Wang, Haobin, Hase, William L.

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 187 KB

english, 1996

96

Temperature Dependence of the Rate Constants and Branching Ratios for the Reactions of Cl - (D 2 O) 1-3 with CH 3 Br and Thermal Dissociation Rates for Cl - (CH 3 Br)

Seeley, John V., Morris, Robert A., Viggiano, A. A., Wang, Haobin, Hase, William L.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 230 KB

english, 1997

97

Models for Intrinsic Non-RRKM Dynamics. Decomposition of the SN2 Intermediate Cl––CH3Br

Paranjothy, Manikandan, Sun, Rui, Kumar Paul, Amit, Hase, William L.

Journal:

Zeitschrift für Physikalische Chemie

Year:

2013

Language:

english

File:

PDF, 471 KB

english, 2013

98

A Direct Dynamics Trajectory Study of F - + CH 3 OOH Reactive Collisions Reveals a Major Non-IRC Reaction Path

López, José G., Vayner, Grigoriy, Lourderaj, Upakarasamy, Addepalli, Srirangam V., Kato, Shuji, deJong, Wibe A., Windus, Theresa L., Hase, William L.

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 299 KB

english, 2007

99

UV Absorption Spectrum of Alternating DNA Duplexes. Analysis of Excitonic and Charge Transfer Interactions

Plasser, Felix, Aquino, Adelia J. A., Hase, William L., Lischka, Hans

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.78 MB

english, 2012

100

Quasiperiodic trajectories for a multidimensional anharmonic classical Hamiltonian excited above the unimolecular threshold

Wolf, Ralph J., Hase, William L.

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 918 KB

english, 1980

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски