Wolfgang Quapp: search on Z-Library

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51

Level sets as progressing waves: an example for wake-free waves in every dimension

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

Journal of Mathematical Chemistry

Year:

2014

Language:

english

File:

PDF, 248 KB

english, 2014

52

THE RIGHT USE OF REFUSE.

Bofill, Josep Maria, Quapp, Wolfgang, Caballero, Marc

Journal:

Year:

1884

Language:

english

File:

PDF, 198 KB

english, 1884

53

Locating transition states on potential energy surfaces by the gentlest ascent dynamics

Bofill, Josep Maria, Quapp, Wolfgang, Caballero, Marc

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 3.92 MB

english, 2013

54

Locating saddle points of any index on potential energy surfaces by the generalized gentlest ascent dynamics

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

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

Year:

2014

Language:

english

File:

PDF, 1.78 MB

english, 2014

55

The Variational Structure of Gradient Extremals

Bofill, Josep Maria, Quapp, Wolfgang, Caballero, Marc

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 2.07 MB

english, 2012

56

A Relation Between the Eikonal Equation Associated to a Potential Energy Surface and a Hyperbolic Wave Equation

Bofill, Josep Maria, Quapp, Wolfgang, Caballero, Marc

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 470 KB

english, 2012

57

Valley ridge inflection points on the potential energy surfaces of H2S, H2Se and H2CO

Quapp, Wolfgang, Melnikov, Vladlen

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 357 KB

english, 2001

58

The mechanism of a barrierless reaction: hidden transition state and hidden intermediates in the reaction of methylene with ethene

Joo, Hyun, Kraka, Elfi, Quapp, Wolfgang, Cremer, Dieter

Journal:

Molecular Physics

Year:

2007

Language:

english

File:

PDF, 1.73 MB

english, 2007

59

A growing string method for the reaction pathway defined by a Newton trajectory

Quapp, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 630 KB

english, 2005

60

Some remarks on the model of the extended gentlest ascent dynamics

Bofill, Josep Maria, Quapp, Wolfgang, Bernuz, Efrem

Journal:

Journal of Mathematical Chemistry

Year:

2015

Language:

english

File:

PDF, 3.54 MB

english, 2015

61

Variational nature, integration, and properties of Newton reaction path

Bofill, Josep Maria, Quapp, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 648 KB

english, 2011

62

The variational nature of the gentlest ascent dynamics and the relation of a variational minimum of a curve and the minimum energy path

Bofill, Josep Maria, Quapp, Wolfgang

Journal:

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

Year:

2016

Language:

english

File:

PDF, 2.77 MB

english, 2016

63

Can we understand the branching of reaction valleys for more than two degrees of freedom?

Quapp, Wolfgang

Journal:

Journal of Mathematical Chemistry

Year:

2016

Language:

english

File:

PDF, 1.13 MB

english, 2016

64

Comment on ``Reaction Coordinates and Pathways of Mechanochemical Transformations''

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 976 KB

english, 2016

65

A Valley Following Method

Quapp, Wolfgang

Journal:

Year:

2003

Language:

english

File:

PDF, 381 KB

english, 2003

66

Embedding of the saddle point of index two on the PES of the ring opening of cyclobutene

Quapp, Wolfgang, Maria Bofill, Josep

Journal:

International Journal of Quantum Chemistry

Year:

2015

Language:

english

File:

PDF, 1.07 MB

english, 2015

67

Reaction rates in a theory of mechanochemical pathways

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 1.62 MB

english, 2016

68

Comment on “Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au 5 ” [J. Chem. Phys. 143, 014301 (2015)]

Quapp, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.64 MB

english, 2015

69

Mechanochemistry on the Müller-Brown surface by Newton trajectories

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

International Journal of Quantum Chemistry

Year:

2017

Language:

english

File:

PDF, 2.02 MB

english, 2017

70

A minimal 2D model of the free energy surface for a unidirectional natural molecular motor

Quapp, Wolfgang

Journal:

Journal of Mathematical Chemistry

Year:

2018

Language:

english

File:

PDF, 996 KB

english, 2018

71

Exploring potential energy surfaces with gentlest ascent dynamics in combination with the shrinking dimer method and Newtonian dynamics

Albareda, Guillem, Bofill, Josep Maria, Moreira, Ibério de P. R., Quapp, Wolfgang, Rubio-Martínez, Jaime

Journal:

Theoretica Chimica Acta

Year:

2018

Language:

english

File:

PDF, 3.02 MB

english, 2018

72

Toward a theory of mechanochemistry: Simple models from the very beginnings

Quapp, Wolfgang, Bofill, Josep Maria, Ribas-Ariño, Jordi

Journal:

International Journal of Quantum Chemistry

Year:

2018

Language:

english

File:

PDF, 6.81 MB

english, 2018

73

A model for a driven Frenkel–Kontorova chain

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2019

Language:

english

File:

PDF, 7.84 MB

english, 2019

74

Interplay between the gentlest ascent dynamics method and conjugate directions to locate transition states

Bofill, Josep Maria, Ribas-Arino, Jordi, Valero, Rosendo, Albareda, Guillermo, Moreira, Ibério de P.R., Quapp, Wolfgang

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 2.32 MB

english, 2019

75

Sliding paths for series of Frenkel-Kontorova models – a contribution to the concept of 1D-superlubricity

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

The European Physical Journal B / Condensed Matter and Complex Systems

Year:

2019

Language:

english

File:

PDF, 12.49 MB

english, 2019

76

Calculus of variations as a basic tool for modelling of reaction paths and localisation of stationary points on potential energy surfaces

Bofill, J. M., Quapp, Wolfgang

Journal:

Molecular Physics

Year:

2019

Language:

english

File:

PDF, 2.20 MB

english, 2019

77

Comment on "Exploring Potential Energy Surface with External Forces"

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 1.56 MB

english, 2019

78

Comment on "Exploring Potential Energy Surface with External Forces"

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 1.56 MB

2019

79

Some Mathematical Reasoning on the Artificial Force Induced Reaction Method

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

Journal of Computational Chemistry

Year:

2019

Language:

english

File:

PDF, 1.60 MB

english, 2019

80

Some Mathematical Reasoning on the Artificial Force Induced Reaction Method

Quapp, Wolfgang, Bofill, Josep Maria

Journal:

Journal of Computational Chemistry

Year:

2019

File:

PDF, 1.60 MB

2019

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