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1

Fluctuation, relaxations, and hydration in liquid water. Hydrogen-bond rearrangement dynamics

Ohmine, Iwao., Tanaka, Hideki.

Journal:

Chemical Reviews

Year:

1993

Language:

english

File:

PDF, 4.25 MB

english, 1993

2

Molecular dynamics simulation of the ice nucleation and growth process leading to water freezing

Matsumoto, Masakazu, Saito, Shinji, Ohmine, Iwao

Journal:

Year:

2002

Language:

english

File:

PDF, 573 KB

english, 2002

3

Water Dynamics: Fluctuation, Relaxation, and Chemical Reactions in Hydrogen Bond Network Rearrangement

Ohmine, Iwao, Saito, Shinji

Journal:

Accounts of Chemical Research

Year:

1999

Language:

english

File:

PDF, 203 KB

english, 1999

4

Dynamics and relaxation of an intermediate size water cluster (H2O)108

Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.18 MB

english, 1994

5

ChemInform Abstract: Water Dynamics: Fluctuation, Relaxation, and Chemical Reactions in Hydrogen Bond Network Rearrangement

Iwao Ohmine, Shinji Saito

Journal:

Year:

1999

File:

PDF, 25 KB

1999

6

Cluster configuration method: application to the spectra of π-electron systems

Journal:

Chemical Physics Letters

Year:

1980

Language:

english

File:

PDF, 502 KB

english, 1980

7

Ab Initio molecular orbital study on the thermostability of the extreme thermophile tRNA: Role of the base stacking

Misako Aida, Chikayoshi Nagata, Iwao Ohmine, Keiji Morokuma

Journal:

Journal of Theoretical Biology

Year:

1982

Language:

english

File:

PDF, 598 KB

english, 1982

8

Energetics of proton transfer in liquid water. I. Ab initio study for origin of many-body interaction and potential energy surfaces

Tamiki Komatsuzaki, Iwao Ohmine

Journal:

Chemical Physics

Year:

1994

Language:

english

File:

PDF, 2.51 MB

english, 1994

9

Global potential energy surfaces of water clusters; reaction coordinate and annealing analyses

Akinori Baba, Junji Tanaka, Shinji Saito, Masakazu Matsumoto, Iwao Ohmine

Journal:

Journal of Molecular Liquids

Year:

1998

Language:

english

File:

PDF, 491 KB

english, 1998

10

Screening of genes specifically activated in the pancreatic juice ductal cells from the patients with pancreatic ductal carcinoma

Koji Yoshida, Shuichi Ueno, Toshiyasu Iwao, Souichirou Yamasaki, Akira Tsuchida, Ken Ohmine, Ruri Ohki, Young Lim Choi, Koji Koinuma, Tomoaki Wada, Jun Ota, Yoshihiro Yamashita, Kazuaki Chayama, Kazuh

Journal:

Year:

2003

Language:

english

File:

PDF, 577 KB

english, 2003

11

Proton Transfer in Bacteriorhodopsin: Structure, Excitation, IR Spectra, and Potential Energy Surface Analyses by an ab Initio QM/MM Method

Hayashi, Shigehiko, Ohmine, Iwao

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 637 KB

english, 2000

12

Salt effects on the phase transition of ionic gels

Journal:

The Journal of Chemical Physics

Year:

1982

Language:

english

File:

PDF, 528 KB

english, 1982

13

Frequency increase of the C:C ag stretch mode of polyenes in the 21Ag- state: ab initio MCSCF study of butadiene, hexatriene, and octatetraene

Aoyagi, Mutsumi., Ohmine, Iwao., Kohler, Bryan E.

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 586 KB

english, 1990

14

Frequency dependence of specific heat in supercooled liquid water and emergence of correlated dynamics

Saito, Shinji, Ohmine, Iwao, Bagchi, Biman

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.93 MB

english, 2013

15

Liquid Water Dynamics: Collective Motions, Fluctuation, and Relaxation

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1.75 MB

english, 1995

16

Defect pair separation as the controlling step in homogeneous ice melting

Mochizuki, Kenji, Matsumoto, Masakazu, Ohmine, Iwao

Journal:

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

17

A theoretical study on anomalous temperature dependence of pK[sub w] of water

Yagasaki, Takuma, Iwahashi, Kensuke, Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 579 KB

english, 2005

18

Large local energy fluctuations in water. II. Cooperative motions and fluctuations

Ohmine, Iwao, Tanaka, Hideki, Wolynes, Peter G.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 965 KB

english, 1988

19

Photoisomerization of polyenes: Potential energy surfaces and normal mode analysis

Ohmine, Iwao, Morokuma, Keiji

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 1.03 MB

english, 1980

20

Mechanism of Ion Permeation in a Model Channel: Free Energy Surface and Dynamics of K + Ion Transport in an Anion-Doped Carbon Nanotube

Sumikama, Takashi, Saito, Shinji, Ohmine, Iwao

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 306 KB

english, 2006

21

Microscopic Mechanism of Ion Permeation through K+ Channel

Sumikama, Takashi, Ohmine, Iwao, Oiki, Shigetoshi

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 35 KB

english, 2010

22

Effects of Nonadditive Interactions on Ion Solvation at the Water/Vapor Interface: A Molecular Dynamics Study

Yagasaki, Takuma, Saito, Shinji, Ohmine, Iwao

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 2.43 MB

english, 2010

23

A Molecular Dynamics Study for the Structure Determination of the Signaling State in the Photocycle of Photoactive Yellow Protein

Kamiya, Motoshi, Ohmine, Iwao

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.69 MB

english, 2010

24

Effects of Nonadditive Interactions on Ion Solvation at the Water/Vapor Interface: A Molecular Dynamics Study

Yagasaki, Takuma, Saito, Shinji, Ohmine, Iwao

Journal:

Journal of Physical Chemistry A

Year:

2011

File:

PDF, 593 KB

2011

25

Proton Transfer and Associated Molecular Rearrangements in the Photocycle of Photoactive Yellow Protein: Role of Water Molecular Migration on the Proton Transfer Reaction

Kamiya, Motoshi, Saito, Shinji, Ohmine, Iwao

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 583 KB

english, 2007

26

Water Dynamics: Fluctuation, Relaxation, and Chemical Reactions in Hydrogen Bond Network Rearrangement

Ohmine, Iwao, Saito, Shinji

Journal:

Accounts of Chemical Research

Year:

1999

Language:

english

File:

PDF, 23 KB

english, 1999

27

Potential energy surfaces for water dynamics. II. Vibrational mode excitations, mixing, and relaxations

Ohmine, Iwao, Tanaka, Hideki

Journal:

The Journal of Chemical Physics

Year:

1990

Language:

english

File:

PDF, 948 KB

english, 1990

28

Proton-Transfer Reactions in Reaction Center of Photosynthetic Bacteria Rhodobacter sphaeroides

Kaneko, Yu, Hayashi, Shigehiko, Ohmine, Iwao

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 4.75 MB

english, 2009

29

Instantaneous normal mode analysis of liquid water

Cho, Minhaeng, Fleming, Graham R., Saito, Shinji, Ohmine, Iwao, Stratt, Richard M.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.20 MB

english, 1994

30

Off-resonant two-dimensional fifth-order Raman spectroscopy of liquid CS[sub 2]: Detection of anharmonic dynamics

Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 889 KB

english, 2003

31

Mechanism of proton transfer in ice. II. Hydration, modes, and transport

Kobayashi, Chigusa, Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 1.26 MB

english, 2001

32

Nonadiabatic transition and energy relaxation dynamics in the photoisomerization of s-trans butadiene

Ito, Masakatsu, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 571 KB

english, 1997

33

Long time fluctuation of liquid water: 1/f spectrum of energy fluctuation in hydrogen bond network rearrangement dynamics

Sasai, Masaki, Ohmine, Iwao, Ramaswamy, Ramakrishna

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 876 KB

english, 1992

34

and

Saito, Shinji, Ohmine, Iwao

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 226 KB

english, 2002

35

Translational and orientational dynamics of a water cluster (H2O)108 and liquid water: Analysis of neutron scattering and depolarized light scattering

Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 611 KB

english, 1995

36

A theoretical study on decomposition of formic acid in sub- and supercritical water

Yagasaki, Takuma, Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 360 KB

english, 2002

37

Mechanism of ion permeation through a model channel: Roles of energetic and entropic contributions

Sumikama, Takashi, Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1009 KB

english, 2013

38

Nanosecond laser photolysis of the benzene monomer and eximer

Nakashima, Nobuaki, Sumitani, Minoru, Ohmine, Iwao, Yoshihara, Keitaro

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 647 KB

english, 1980

39

A new approach to the dynamics of hydrogen bond network in liquid water

Matsumoto, Masakazu, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 420 KB

english, 1996

40

Mechanisms of nonadiabatic transitions in photoisomerization processes of conjugated molecules: Role of hydrogen migrations

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 1.53 MB

english, 1985

41

Mechanism of fast proton transfer in ice: Potential energy surface and reaction coordinate analyses

Kobayashi, Chigusa, Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 818 KB

english, 2000

42

Dynamics of proton attachment to water cluster: Proton transfer, evaporation, and relaxation

Kobayashi, Chigusa, Iwahashi, Kensuke, Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 517 KB

english, 1996

43

Fluctuation, relaxation and rearrangement dynamics of a model (H2O)20 cluster: Non-statistical dynamical behavior

Baba, Akinori, Hirata, Yoshihiro, Saito, Shinji, Ohmine, Iwao, Wales, David J.

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 463 KB

english, 1997

44

Energy dissipation mechanism of the optically excited molecules in solvents: A trajectory study for a photoisomerization process of the π-conjugated molecule in Ar and water

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 1.61 MB

english, 1986

45

Rearrangements of model (H2O)8 and (H2O)20 clusters

Wales, David J., Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.01 MB

english, 1993

46

Structure, dynamics, and thermodynamics of model (H2O)8 and (H2O)20 clusters

Wales, David J., Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1993

Language:

english

File:

PDF, 1.04 MB

english, 1993

47

Potential energy surfaces for water dynamics: Reaction coordinates, transition states, and normal mode analyses

Tanaka, Hideki, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 992 KB

english, 1989

48

Third order nonlinear response of liquid water

Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 341 KB

english, 1997

49

Off-resonant fifth-order nonlinear response of water and CS[sub 2]: Analysis based on normal modes

Saito, Shinji, Ohmine, Iwao

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 656 KB

english, 1998

50

Photoisomerization of polyenes; reaction coordinate and trajectory in triplet mechanism

Journal:

The Journal of Chemical Physics

Year:

1981

Language:

english

File:

PDF, 681 KB

english, 1981