Developing a coarse-grained force field for the diblock copolymer poly(styrene-b-butadiene) from atomistic simulation

JOURNAL ARTICLE published 28 May 2006 in The Journal of Chemical Physics

Authors: Xuejin Li | Dazhi Kou | Shuling Rao | Haojun Liang

CAESURA: Measurement of slow molecular dynamics by solid-state nuclear magnetic resonance chemical shift anisotropy modulation amplification

JOURNAL ARTICLE published 14 August 2006 in The Journal of Chemical Physics

Authors: Limin Shao | Jeremy J. Titman

Anisotropy in fifth-order exciton–exciton-interaction two-dimensional spectroscopy

JOURNAL ARTICLE published 21 April 2021 in The Journal of Chemical Physics

Research funded by Deutsche Forschungsgemeinschaft (423942615)

Authors: Julian Lüttig | Tobias Brixner | Pavel Malý

Imaging transient species in the femtosecond A-band photodissociation of CH3I

JOURNAL ARTICLE published 7 October 2009 in The Journal of Chemical Physics

Authors: J. Durá | R. de Nalda | G. A. Amaral | L. Bañares

UV photodissociation of the van der Waals dimer (CH3I)2 revisited: Pathways giving rise to ionic features

JOURNAL ARTICLE published 22 May 2005 in The Journal of Chemical Physics

Authors: Konstantin V. Vidma | Alexey V. Baklanov | Evgeny B. Khvorostov | Valerii N. Ishchenko | Sergei A. Kochubei | André T. J. B. Eppink | Dmitri A. Chestakov | David H. Parker

Spatio-temporal hierarchy in the dynamics of a minimalist protein model

JOURNAL ARTICLE published 7 December 2013 in The Journal of Chemical Physics

Authors: Yasuhiro Matsunaga | Akinori Baba | Chun-Biu Li | John E. Straub | Mikito Toda | Tamiki Komatsuzaki | R. Stephen Berry

Liquid-solid transition in fully ionized hydrogen at ultra-high pressures

JOURNAL ARTICLE published 14 May 2011 in The Journal of Chemical Physics

Research funded by European Union (RI-031513,RI-222919) | U.S. Department of Energy (DE-FG52-09NA29456)

Authors: Elisa Liberatore | Carlo Pierleoni | D. M. Ceperley

Designing heavy metal oxide glasses with threshold properties from network rigidity

JOURNAL ARTICLE published 7 January 2014 in The Journal of Chemical Physics

Research funded by NSF (DMR-08-53957)

Authors: Shibalik Chakraborty | P. Boolchand | M. Malki | M. Micoulaut

Reproducing the low-temperature excitation energy transfer dynamics of phycoerythrin 545 light-harvesting complex with a structure-based model Hamiltonian

JOURNAL ARTICLE published 7 April 2020 in The Journal of Chemical Physics

Research funded by National Natural Science Foundation of China (21973030,21773066)

Authors: Zhengqing Tong | Zhe Huai | Ye Mei | Yan Mo

Interpreting single turnover catalysis measurements with constrained mean dwell times

JOURNAL ARTICLE published 7 November 2011 in The Journal of Chemical Physics

Research funded by U.S. Department of Energy (DE-FG02-10ER16199) | Army Research Office (W911NF0910232) | National Science Foundation (CBET-0851257,CHE0743299)

Authors: Maicol A. Ochoa | Xiaochun Zhou | Peng Chen | Roger F. Loring

Electronic structure origin of conductivity and oxygen reduction activity changes in low-level Cr-substituted (La,Sr)MnO3

JOURNAL ARTICLE published 21 September 2015 in The Journal of Chemical Physics

Research funded by Ministry of Education, Czech Republic (LM2011029) | Ministry of Education, Czech Republic (LO1409) | Swiss National Science Foundation (137868) | Swiss National Science Foundation (138864) | European Commission (256885)

Authors: George Tsekouras | Florent Boudoire | Banabir Pal | Martin Vondráček | Kevin C. Prince | D. D. Sarma | Artur Braun

Energy transfer in intermolecular collisions of polycyclic aromatic hydrocarbons with bath gases He and Ar

JOURNAL ARTICLE published 28 July 2019 in The Journal of Chemical Physics

Research funded by National Natural Science Foundation of China (91841301)

Authors: Hongmiao Wang | Kaicheng Wen | Xiaoqing You | Qian Mao | Kai Hong Luo | Michael J. Pilling | Struan H. Robertson

High field Pb207 spin-lattice relaxation in solid lead nitrate and lead molybdate

JOURNAL ARTICLE published 7 February 2008 in The Journal of Chemical Physics

Authors: Peter J. de Castro | Christopher A. Maher | Robert L. Vold | Gina L. Hoatson

Influence of temperature on coherent dynamics of a two-level system immersed in a dissipative spin bath

JOURNAL ARTICLE published 7 October 2009 in The Journal of Chemical Physics

Authors: Zhiguo Lü | Hang Zheng

Aspects of semiconductivity in soft, porous metal-organic framework crystals

JOURNAL ARTICLE published 7 July 2019 in The Journal of Chemical Physics

Research funded by Deutsche Forschungsgemeinschaft (EXC 2089/1 - 390776260,OB425/3-1)

Authors: Christoph Muschielok | Harald Oberhofer

A comparative study on the bond features in CO, CS, and PbS

JOURNAL ARTICLE published 14 December 2018 in The Journal of Chemical Physics

Research funded by National Natural Science Foundation of China (11674003,21473193,21503003,21873003,61475001)

Authors: Chengxiang Jiao | Zhengbo Qin | Ran Cong | Xianfeng Zheng | Zhifeng Cui | Hua Xie | Zichao Tang

A theoretical analysis of time-dependent fragment momenta in indirect photofragmentation

JOURNAL ARTICLE published 21 June 2010 in The Journal of Chemical Physics

Authors: Niels E. Henriksen

Beyond single crystals: Imaging rubrene polymorphism across crystalline batches through lattice phonon Raman microscopy

JOURNAL ARTICLE published 21 December 2021 in The Journal of Chemical Physics

Research funded by U.S. Department of Energy (DE-SC0018203) | National Science Foundation (1839286)

Authors: Margaret L. Clapham | Ryan E. Leighton | Christopher J. Douglas | Renee R. Frontiera

Calculation of rovibronic intensities for triatomic molecules in double-Renner-degenerate electronic states: Application to the X̃ A2″ and Ã A2′ electronic states of HO2

JOURNAL ARTICLE published 14 June 2009 in The Journal of Chemical Physics

Authors: Vladlen V. Melnikov | Per Jensen | Tsuneo Hirano

Hardness and superconductivity in tetragonal LiB4 and NaB4

JOURNAL ARTICLE published 21 December 2023 in The Journal of Chemical Physics

Research funded by National Natural Science Foundation of China (11704062,12074138)

Authors: Qianyi Wang | Honggang Li | Jiahui Wei | Ting Zhong | Li Zhu | Xinxin Zhang | Hanyu Liu | Shoutao Zhang