Communication: An accurate calculation of the S-1 C2H2 cis-trans isomerization barrier height

Baraban Joshua H.; Matthews Devin A.; Stanton John F.

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Communication: An accurate calculation of the S-1 C2H2 cis-trans isomerization barrier height

机译：通讯：S-1 C2H2顺反异构化势垒高度的精确计算

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A high level ab initio calculation of the cis-trans isomerization barrier height in the first excited singlet electronic state of acetylene is found to agree very well with a recent experimental determination. (C) 2016 AIP Publishing LLC.

机译：发现乙炔的第一个激发单重态电子态的顺-反异构化势垒高度的高从头算是与最近的实验确定非常吻合的。（C）2016 AIP出版有限责任公司。

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《The Journal of Chemical Physics》 |2016年第11期|共2页
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Baraban Joshua H.; Matthews Devin A.; Stanton John F.;
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1. Communication: An accurate calculation of the S-1 C2H2 cis-trans isomerization barrier height [J] . Baraban Joshua H., Matthews Devin A., Stanton John F. The Journal of Chemical Physics . 2016,第11期

机译：通讯：S-1 C2H2顺反异构化势垒高度的精确计算
2. Probing cis-trans isomerization in the S-1 state of C2H2 via H-atom action and hot band-pumped IR-UV double resonance spectroscopies [J] . Changala P. Bryan, Baraban Joshua H., Merer Anthony J., The Journal of Chemical Physics . 2015,第8期

机译：通过H原子作用和热谱带泵浦IR-UV双共振光谱法研究C2H2的S-1状态下的顺反异构化
3. Degree of pyramidality governs the height and peak position of the free-energy-barrier for the cis-trans isomerization of N-Methylacetamide [J] . Yonezawa Y., Standley D.M., Nakamura H. Chemical Physics Letters . 2011,第1a3期

机译：锥度控制着N-甲基乙酰胺的顺反异构化的自由能垒的高度和峰值位置
4. Kinetic Analysis of cis-trans Isomerization Reactions for Proline Dipeptides by Temperature-Jump Relaxation HPLC Incorporated with Heart-Cut Two-Dimensional Separation System [C] . Kenta Takahashi, Shingo Saito, Masami Shibukawa 日本化学会春季年会講演予稿集 . 2018

机译：通过温度跳高弛豫HPLC与心切除二维分离系统的脯氨酸二肽Cis-Trans异构化反应的动力学分析
5. Synthesis and chemistry of fluorinated polyenes cis-trans isomerization of the 1,2-difluoroolefinic unit in conjugated dienes. [D] . Xue, Ling. 1996

机译：共轭二烯中1,2-二氟烯烃单元的氟化多烯的顺式异构化和合成。
6. Proline cis-trans isomerization in staphylococcal nuclease: multi-substrate free energy perturbation calculations. [O] . A. Hodel, L. M. Rice, T. Simonson, 1995

机译：葡萄球菌核酸酶中脯氨酸的顺反异构化：多底物自由能扰动计算。
7. Probing cis-trans isomerization in the S1 state of C2H2 via H-atom action and hot band-pumped IR-UV double resonance spectroscopies [O] . Changala P. Bryan, Baraban Joshua H., Merer Anthony J., 2015

机译：通过H原子作用和热带泵浦IR-UV双共振光谱探测C2H2 s1状态的顺反异构化

Communication: An accurate calculation of the S-1 C2H2 cis-trans isomerization barrier height

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