Amide I IR, VCD, and 2d IR spectra of isotope-labeled α-helix in liquid water: Numerical simulation studies

Jun-Ho Choi; Seungsoo Hahn; Minhaeng Cho

doi:10.1002/qua.20543

Amide I IR, VCD, and 2d IR spectra of isotope-labeled α-helix in liquid water: Numerical simulation studies

International Journal of Quantum Chemistry ◽

10.1002/qua.20543 ◽

2005 ◽

Vol 104 (5) ◽

pp. 616-634 ◽

Cited By ~ 53

Author(s):

Jun-Ho Choi ◽

Seungsoo Hahn ◽

Minhaeng Cho

Keyword(s):

Numerical Simulation ◽

Ir Spectra ◽

Liquid Water ◽

Simulation Studies ◽

2D Ir ◽

Α Helix

Download Full-text

Amide I IR, VCD, and 2D IR Spectra of polypeptide and Ubiquitin: Numerical simulation studies

2007 Conference on Lasers and Electro-Optics - Pacific Rim ◽

10.1109/cleopr.2007.4391237 ◽

2007 ◽

Author(s):

Jun-Ho Choi ◽

Minhaeng Cho

Keyword(s):

Numerical Simulation ◽

Ir Spectra ◽

Simulation Studies ◽

2D Ir

Download Full-text

Simulation Studies of Amide I IR Absorption and Two-Dimensional IR Spectra ofβHairpins in Liquid Water

The Journal of Physical Chemistry B ◽

10.1021/jp050450j ◽

2005 ◽

Vol 109 (23) ◽

pp. 11789-11801 ◽

Cited By ~ 76

Author(s):

Seungsoo Hahn ◽

Sihyun Ham ◽

Minhaeng Cho

Keyword(s):

Ir Spectra ◽

Liquid Water ◽

Ir Absorption ◽

Two Dimensional ◽

Simulation Studies

Download Full-text

Numerical simulation studies of Cs3Bi2I9 perovskite solar device with optimal selection of electron and hole transport layers

Optik ◽

10.1016/j.ijleo.2021.166417 ◽

2021 ◽

Vol 231 ◽

pp. 166417 ◽

Cited By ~ 1

Author(s):

Md Tohidul Islam ◽

Md Rafsun Jani ◽

Kazi Md Shorowordi ◽

Zameer Hoque ◽

Ali Mucteba Gokcek ◽

...

Keyword(s):

Numerical Simulation ◽

Hole Transport ◽

Optimal Selection ◽

Simulation Studies ◽

Hole Transport Layers ◽

Selection Of

Download Full-text

Numerical simulation studies of the turbulent airflow through a shrouded airborne aerosol sampling probe and estimation of the minimum sampler transmission efficiency

Journal of Aerosol Science ◽

10.1016/s0021-8502(98)80009-8 ◽

1998 ◽

Vol 29 (9) ◽

pp. 1145-1156 ◽

Cited By ~ 2

Author(s):

Stuart A. Cain ◽

Michael Ram

Keyword(s):

Numerical Simulation ◽

Transmission Efficiency ◽

Aerosol Sampling ◽

Simulation Studies ◽

Sampling Probe ◽

Turbulent Airflow

Download Full-text

Theoretical IR Spectra for Water Clusters (H2O)n(n= 6−22, 28, 30) and Identification of Spectral Contributions from Different H-Bond Conformations in Gaseous and Liquid Water

The Journal of Physical Chemistry A ◽

10.1021/jp066372x ◽

2006 ◽

Vol 110 (50) ◽

pp. 13388-13393 ◽

Cited By ~ 79

Author(s):

Annika Lenz ◽

Lars Ojamäe

Keyword(s):

Ir Spectra ◽

Liquid Water ◽

Water Clusters

Download Full-text

An overview of neutron scattering and molecular dynamics simulation studies of phospholipid bilayers in room-temperature ionic liquid/water solutions

Physica B Condensed Matter ◽

10.1016/j.physb.2018.02.043 ◽

2018 ◽

Vol 551 ◽

pp. 227-231 ◽

Cited By ~ 7

Author(s):

Antonio Benedetto ◽

Pietro Ballone

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Liquid Water ◽

Room Temperature ◽

Phospholipid Bilayers ◽

Dynamics Simulation ◽

Simulation Studies ◽

Water Solutions

Download Full-text

Numerical simulation studies of the convective instability onset in a supercritical fluid

Physical Review E ◽

10.1103/physreve.71.067301 ◽

2005 ◽

Vol 71 (6) ◽

Cited By ~ 9

Author(s):

A. Furukawa ◽

H. Meyer ◽

A. Onuki

Keyword(s):

Numerical Simulation ◽

Supercritical Fluid ◽

Convective Instability ◽

Simulation Studies

Download Full-text

Numerical Simulation Studies of the Kinetics of First Order Phase Transitions

Dynamics of Ordering Processes in Condensed Matter ◽

10.1007/978-1-4613-1019-8_15 ◽

1988 ◽

pp. 101-110 ◽

Cited By ~ 2

Author(s):

J. D. Gunton ◽

E. T. Gawlinski ◽

K. Kaski

Keyword(s):

Numerical Simulation ◽

Phase Transitions ◽

Simulation Studies ◽

First Order ◽

First Order Phase ◽

Kinetics Of

Download Full-text

Quasi-Particle Approach to 2D IR Spectra of Vibrational Excitons in Biomolecules: Molecular Dynamics versus Stochastic Simulation Protocols

Ultrafast Infrared Vibrational Spectroscopy ◽

10.1201/b13972-17 ◽

2013 ◽

pp. 418-449

Keyword(s):

Molecular Dynamics ◽

Ir Spectra ◽

Stochastic Simulation ◽

Quasi Particle ◽

2D Ir ◽

Particle Approach

Download Full-text

Numerical Simulation Studies of a Swirl Flow in a Supersonic Nozzle

The Proceedings of Conference of Hokuriku-Shinetsu Branch ◽

10.1299/jsmehs.2004.41.99 ◽

2004 ◽

Vol 2004.41 (0) ◽

pp. 99-100

Author(s):

Hiroshi ENDOH ◽

Kazuhito KATOH ◽

Kazumi TSUNODA

Keyword(s):

Numerical Simulation ◽

Supersonic Nozzle ◽

Swirl Flow ◽

Simulation Studies

Download Full-text