Aatto I. Laaksonen: search on Z-Library

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1

Characterizing key features in the formation of ice and gas hydrate systems

Liang, Shuai, Hall, Kyle Wm., Laaksonen, Aatto, Zhang, Zhengcai, Kusalik, Peter G.

Journal:

Philosophical Transactions Mathematical Physical & Engineering Sciences

Year:

2019

Language:

english

File:

PDF, 3.12 MB

english, 2019

2

Ewald summation based on nonuniform fast Fourier transform

Fredrik Hedman, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 252 KB

english, 2006

3

The Treatment of Rotational Motion in Molecular Dynamics

Roland Sonnenschein, Aatto Laaksonen, Enrico Clementi

Journal:

Journal of Computational Chemistry

Year:

1986

Language:

english

File:

PDF, 224 KB

english, 1986

4

Local Structure and Work of Formation of Water Clusters Studied by Molecular Dynamics Simulations

Elena N. Brodskaya, Jan Christer Eriksson, Aatto Laaksonen, Anatoly I. Rusanov

Journal:

Journal of Colloid and Interface Science

Year:

1996

Language:

english

File:

PDF, 240 KB

english, 1996

5

Theoretical modeling of sodium chloride and related systems. I. The interaction energies

Aatto Laaksonen, Giorgina Corongiu, Enrico Clementi

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 460 KB

english, 1984

6

Intermediate technologies towards low-carbon economy. The Greek zeolite CCS outlook into the EU commitments

Konstantinos I. Vatalis, Aatto Laaksonen, George Charalampides, Nikolas P. Benetis

Journal:

Renewable and Sustainable Energy Reviews

Year:

2012

Language:

english

File:

PDF, 1.43 MB

english, 2012

7

Free energy calculations for Lennard-Jones systems and water using the expanded ensemble method A Monte Carlo and molecular dynamics simulation study

Lyubartsev, Alexander P., Laaksonen, Aatto, Vorontsov-Velyaminov, Pavel N.

Journal:

Molecular Physics

Year:

1994

Language:

english

File:

PDF, 967 KB

english, 1994

8

Surface tension of water droplets: A molecular dynamics study of model and size dependencies

Zakharov, Viktor V., Brodskaya, Elena N., Laaksonen, Aatto

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 471 KB

english, 1997

9

Molecular Dynamics Simulation Study of Glycerol–Water Liquid Mixtures

Egorov, Andrei V., Lyubartsev, Alexander P., Laaksonen, Aatto

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.46 MB

english, 2011

10

Sorbents for CO2 capture from flue gas—aspects from materials and theoretical chemistry

Hedin, Niklas, Chen, LiJun, Laaksonen, Aatto

Journal:

Year:

2010

Language:

english

File:

PDF, 574 KB

english, 2010

11

Induced Ice Melting by the Snow Flea Antifreeze Protein from Molecular Dynamics Simulations

Todde, Guido, Whitman, Christopher, Hovmöller, Sven, Laaksonen, Aatto

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 3.40 MB

english, 2014

12

Pattern preferences of DNA nucleotide motifs by polyamines putrescine2+, spermidine3+ and spermine4+

Perepelytsya, Sergiy, Uličný, Jozef, Laaksonen, Aatto, Mocci, Francesca

Journal:

Nucleic Acids Research

Year:

2019

Language:

english

File:

PDF, 3.22 MB

english, 2019

13

Carbon recycling â An immense resource and key to a smart climate engineering: A survey of technologies, cost and impurity impact

Wang, Honglin, Liu, Yanrong, Laaksonen, Aatto, Krook-Riekkola, Anna, Yang, Zhuhong, Lu, Xiaohua, Ji, Xiaoyan

Journal:

Renewable and Sustainable Energy Reviews

Year:

2020

File:

PDF, 1.92 MB

2020

14

Carbohydrates Exhibit a Distinct Preferential Solvation Pattern in Binary Aqueous Solvent Mixtures

Aleksey Vishnyakov, Göran Widmalm, Aatto Laaksonen

Journal:

Angewandte Chemie

Year:

2000

Language:

english

File:

PDF, 95 KB

english, 2000

15

Carbohydrates Exhibit a Distinct Preferential Solvation Pattern in Binary Aqueous Solvent Mixtures

Aleksey Vishnyakov, Göran Widmalm, Aatto Laaksonen

Journal:

Angewandte Chemie International Edition

Year:

2000

Language:

english

File:

PDF, 102 KB

english, 2000

16

Molecular dynamics simulation study of oriented polyamine- and Na-DNA: Sequence specific interactions and effects on DNA structure

Nikolay Korolev, Alexander P. Lyubartsev, Aatto Laaksonen, Lars Nordenskiöld

Journal:

Year:

2004

Language:

english

File:

PDF, 673 KB

english, 2004

17

A molecular dynamics study of conformational changes and hydration of left-handed d (CGCGCGCGCGCG)2 in a nonsalt solution

Mats A. L Eriksson, Aatto Laaksonen

Journal:

Year:

1992

Language:

english

File:

PDF, 1.77 MB

english, 1992

18

Nonlinear Effects in Asymmetric Amino Acid Catalysis by Multiple Interconnected Stereoselective Catalytic Networks

Dr. Ramon Rios, Dr. Patric Schyman, Dr. Henrik Sundén, Dr. Gui-Ling Zhao, Dr. Farman Ullah, Dr. Li-Jun Chen, Prof. Dr. Aatto Laaksonen, Prof. Dr. Armando Córdova

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 378 KB

english, 2010

19

Intermolecular nuclear spin—spin coupling and scalar relaxation. A quantum-mechanical and statistical-mechanical study for the aqueous fluoride ion

Aatto Laaksonen, Jozef Kowalewski, Bo Jönsson

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 376 KB

english, 1982

20

A spin-unrestricted MC SCF calculation of nuclear spin-spin coupling constants in the HCN molecule

Aatto I. Laaksonen, Victor R. Saunders

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 340 KB

english, 1983

21

Internal motion of benzene. A molecular dynamics simulation study

Aatto Laaksonen, Jian Wang, Russell J. Boyd

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 612 KB

english, 1995

22

Computer simulation package for liquids and solids with polar interactions: I. McMOLDYN/H2O: Aqueous systems

Aatto Laaksonen

Journal:

Computer Physics Communications

Year:

1986

Language:

english

File:

PDF, 2.12 MB

english, 1986

23

Finite perturbation MCSCF and CI calculations of nuclear spin-spin coupling constants for some molecules with multiple bonds

Aatto Laaksonen, Jozef Kowalewski, Victor R. Saunders

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 520 KB

english, 1983

24

DNA strand break: Structural and electrostatic properties studied by molecular dynamics simulation

Juraj Kotulic Bunta, Aatto Laaksonen, Miroslav Pinak, Toshiyuki Nemoto

Journal:

Computational Biology and Chemistry

Year:

2006

Language:

english

File:

PDF, 512 KB

english, 2006

25

Molecular dynamics simulation of single DNA stretching reveals a novel structure

Raimo Lohikoski, Jussi Timonen, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 946 KB

english, 2005

26

Hydroxyl radical – Thymine adduct induced DNA damages

Patric Schyman, Leif A Eriksson, Ru bo Zhang, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 574 KB

english, 2008

27

Phosphodiester bond rupture in 5′ and 3′ cytosine monophosphate in aqueous environment and the effect of low-energy electron attachment: A Car–Parrinello QM/MM molecular dynamics study

Patric Schyman, Aatto Laaksonen, Håkan W. Hugosson

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 634 KB

english, 2008

28

Evaluation of the viscosities of a liquid crystal model system by shear flow simulation

Sten Sarman, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 262 KB

english, 2009

29

The temperature dependence of the heat conductivity of a liquid crystal studied by molecular dynamics simulation

Sten Sarman, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 269 KB

english, 2010

30

Molecular dynamics simulations of conserved Hox protein hexapeptides II. Folded structures in water solution

Henrik Rundgren, Pekka Mark, Aatto Laaksonen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 1.14 MB

english, 2007

31

Molecular dynamics simulations of conserved Hox protein hexapeptides. I. Folding behavior in water solution

Henrik Rundgren, Pekka Mark, Aatto Laaksonen

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2007

Language:

english

File:

PDF, 810 KB

english, 2007

32

Hypericin, an intriguing internally heterogenous molecule, forms a covalent intramolecular hydrogen bond

Jozef Uličný, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 157 KB

english, 2000

33

The electronic properties of water molecules in water clusters and liquid water

Yaoquan Tu, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 98 KB

english, 2000

34

Gas phase photoisomerization of urocanic acid – a theoretical study

Jonas Danielsson, Aatto Laaksonen

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 114 KB

english, 2003

35

Parallel aspects of quantum molecular dynamics simulations of liquids

Fredrik Hedman, Aatto Laaksonen

Journal:

Computer Physics Communications

Year:

2000

Language:

english

File:

PDF, 267 KB

english, 2000

36

Reconstruction of pair interaction potentials from radial distribution functions

Alexander P. Lyubartsev, Aatto Laaksonen

Journal:

Computer Physics Communications

Year:

1999

Language:

english

File:

PDF, 36 KB

english, 1999

37

Conformational analysis of a 7,8-epoxycembranoid

Jan-Eric Berg, Aatto Laaksonen, Inger Wahlberg

Journal:

Year:

1991

Language:

english

File:

PDF, 732 KB

english, 1991

38

Molecular dynamics simulations of α-d-manp-(1→3)-β-d-glcp-ome in methanol and in dimethyl sulfoxide solutions

Aleksey Vishnyakov, Aatto Laaksonen, Göran Widmalm

Journal:

Journal of Molecular Graphics and Modelling

Year:

2001

Language:

english

File:

PDF, 3.68 MB

english, 2001

39

Quantum chemistry study of monomer electronic properties in water clusters and liquid water and methanol

Yaoquan Tu, Aatto Laaksonen

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 123 KB

english, 2005

40

Solvating, manipulating, damaging, and repairing DNA in a computer

Juraj Bunta, Martin Dahlberg, Leif Eriksson, Nikolai Korolev, Aatto Laaksonen, Raimo Lohikoski, Alexander Lyubartsev, Miroslav Pinak, Patric Schyman

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 579 KB

english, 2007

41

Simple nonempirical calculations of the zero-field splitting in transition metal systems: I. The Ni(II)–Water complexes

Carl Ribbing, Michael Odelius, Aatto Laaksonen, Jozef Kowalewski, Björn Roos

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 806 KB

english, 1990

42

Data parallel large-scale molecular dynamics for liquids

Fredrik Hedman, Aatto Laaksonen

Journal:

International Journal of Quantum Chemistry

Year:

1993

Language:

english

File:

PDF, 632 KB

english, 1993

43

Ab initio and molecular dynamics study of dibenzotricyclic calcium antagonists: A rigid model approach

Jian Wang, Aatto Laaksonen, Russell J. Boyd, Rongshi Li, Patrick S. Farmer

Journal:

International Journal of Quantum Chemistry

Year:

1994

Language:

english

File:

PDF, 739 KB

english, 1994

44

First and Second Hydration Shell of Ni2+Studied by Molecular Dynamics Simulations

Andrei V. Egorov, Andrei V. Komolkin, Alexander P. Lyubartsev, Aatto Laaksonen

Journal:

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

Year:

2006

Language:

english

File:

PDF, 372 KB

english, 2006

45

A molecular dynamics simulation study of polyamine– and sodium–DNA. Interplay between polyamine binding and DNA structure

Nikolay Korolev, Alexander P. Lyubartsev, Aatto Laaksonen, Lars Nordenskiöld

Journal:

European Biophysics Journal

Year:

2004

Language:

english

File:

PDF, 2.62 MB

english, 2004

46

Molecular dynamics simulation of double helix Z-DNA in solution

Aatto Laaksonen, Lars G. Nilsson, Bo Jönsson, Olle Teleman

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 881 KB

english, 1989

47

M.DynaMix – a scalable portable parallel MD simulation package for arbitrary molecular mixtures

Alexander P. Lyubartsev, Aatto Laaksonen

Journal:

Computer Physics Communications

Year:

2000

Language:

english

File:

PDF, 227 KB

english, 2000

48

Visualization of solvation structures in liquid mixtures

Dan L Bergman, Leif Laaksonen, Aatto Laaksonen

Journal:

Journal of Molecular Graphics and Modelling

Year:

1997

Language:

english

File:

PDF, 117 KB

english, 1997

49

The Pressure Tensor and Local Density Profiles of Computer-simulated Water Clusters

Elena N. Brodskaya, Jan C. Eriksson, Aatto Laaksonen, Anatoly I. Rusanov

Journal:

Mendeleev Communications

Year:

1993

Language:

english

File:

PDF, 739 KB

english, 1993

50

Docking and homology modeling explain inhibition of the human vesicular glutamate transporters

Jonas Almqvist, Yafei Huang, Aatto Laaksonen, Da-Neng Wang, Sven Hovmöller

Journal:

Protein Science

Year:

2007

Language:

english

File:

PDF, 977 KB

english, 2007