DICP OpenIR

Browse/Search Results:  1-10 of 13 Help

Filters    
Selected(0)Clear Items/Page:    Sort:
Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen‑M (M = Co; Al; Zn) 期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 1, 页码: 9239
Authors:  Wang TT(王婷婷);  Xie Y(谢勇);  Deng WQ(邓伟侨)
Adobe PDF(296Kb)  |  Favorite  |  View/Download:67/44  |  Submit date:2015/11/16
Sensing Mechanism for Biothiols Chemosensor DCO: Roles of Excited-State Hydrogen-Bonding and Intramolecular Charge Transfer 期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 38, 页码: 8986
Authors:  Chen JS(陈俊生);  Yuan MH(袁明虎);  Wang JP(王嘉佩);  Yang Y(杨阳);  TianshuChu
Adobe PDF(436Kb)  |  Favorite  |  View/Download:66/34  |  Submit date:2015/11/16
Theoretical Investigation of the Competitive Mechanism Between Dissociation and Ionization of H-2(+) in Intense Field 期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 39, 页码: 9137
Authors:  Yao HB(姚宏斌);  Zhao GJ(赵广久)
Adobe PDF(2199Kb)  |  Favorite  |  View/Download:42/27  |  Submit date:2015/11/16
Modeling theThermal Unfolding 2DIR Spectra of aβ‑Hairpin Peptide Based on the Implicit Solvent MD Simulation  期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 期号: 29, 页码: 6256
Authors:  吴天敏;  LijiangYang;  张睿挺;  QiangShao;  庄巍
Adobe PDF(2892Kb)  |  Favorite  |  View/Download:124/23  |  Submit date:2014/09/11
Structure and Bonding in MPb5− (M = Cu, Ag, and Au): A Combined Investigation by Theoretical Calculations and Photoelectron Imaging Spectroscopy  期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 期号: 11, 页码: 2325
Authors:  Lijuan Zhao;  谢华;  刘志凌;  Jie Wang;  Xiaopeng Xing;  唐紫超;  邢小鹏
Adobe PDF(2461Kb)  |  Favorite  |  View/Download:74/14  |  Submit date:2014/09/11
A Reactive Molecular Dynamics Study of n‑Heptane9;Heptane Pyrolysis at High 期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 期号: 16, 页码: 3266
Authors:  丁俊霞;  张亮;  张岩;  韩克利
Adobe PDF(4854Kb)  |  Favorite  |  View/Download:159/31  |  Submit date:2014/09/11
Photoelectron Spectroscopic and Theoretical Study of Aromatic−Bim 期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 期号: 20, 页码: 4127
Authors:  Zhang Sun;  Shutao Sun;  Hongtao Liu;  Tang ZC(唐紫超);  Zhen Gao
Adobe PDF(1920Kb)  |  Favorite  |  View/Download:82/39  |  Submit date:2014/09/11
Experimental and Theoretical Study on the Photophysical Properties of 90° and 60° Bimetallic Platinum Complexes 期刊论文
Journal of Physical Chemistry A, 2012, 卷号: 116, 页码: 9911
Authors:  Chen JS(陈俊生);  Zhao GJ(赵广久);  TimothyRCook;  Sun XF(孙小飞);  Yang SQ(羊送球);  Zhang MX(张明星);  Han KL(韩克利);  PeterJStang
Adobe PDF(485Kb)  |  Favorite  |  View/Download:235/77  |  Submit date:2013/10/11
Theoretical Determination of the Rate Coefficient for the HO2+ HO2 → H2O2+O2 Reaction: Adiabatic Treatment of Anharmonic Torsional Effects 期刊论文
Journal of Physical Chemistry A, 2012, 卷号: 116, 页码: 2089
Authors:  DingyuDYZhou;  Han KL(韩克利);  Zhang PY(张佩宇);  LawrenceBHarding;  MichaelJDavis;  andRexTSkodje;  RexTSkodje
Adobe PDF(2424Kb)  |  Favorite  |  View/Download:185/7  |  Submit date:2013/10/11
Rotational State Specific Dissociation Dynamics of HOD →H+ OD via Two-Photon Excitation to the Շ Electronic State 期刊论文
Journal of Physical Chemistry A, 2011, 卷号: 115, 页码: 1500
Authors:  Cheng LN(程丽娜);  Yuan KJ(袁开军);  Cheng Y(程元);  Guo Q(郭庆);  Wang T(汪涛);  Dai DX(戴东旭);  Yang XM(杨学明)
Adobe PDF(4229Kb)  |  Favorite  |  View/Download:148/5  |  Submit date:2013/10/11