New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2)(2(1)A ') states of SO2 (vol 144, 174301, 2016)

Klos Jacek; Alexander Millard H.; Kumar Praveen; Poirier Bill; Jiang Bin; Guo Hua

首页> 外文期刊>The Journal of Chemical Physics >New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2)(2(1)A ') states of SO2 (vol 144, 174301, 2016)

【24h】

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2)(2(1)A ') states of SO2 (vol 144, 174301, 2016)

机译：单线态地基（X）叠线（1）A（1）和激发态（C）叠线（1）B（2）（2（1）A'的新的从头绝热势能面和束缚态计算）SO2的状态（vol 144，174301，2016）

获取原文

获取原文并翻译 | 示例

获取外文期刊封面目录资料

开具论文收录证明 >>

文献代查 >>

文献数据库（团队版） >>

页面导航

著录项
引文网络
相似文献
相关主题

著录项

来源
《The Journal of Chemical Physics》 |2016年第20期|共1页
作者
Klos Jacek; Alexander Millard H.; Kumar Praveen; Poirier Bill; Jiang Bin; Guo Hua;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类
关键词

相似文献

外文文献
中文文献

1. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2)(2(1)A ') states of SO2 (vol 144, 174301, 2016) [J] . Klos Jacek, Alexander Millard H., Kumar Praveen, The Journal of Chemical Physics . 2016,第20期

机译：单线态地基（X）叠线（1）A（1）和激发态（C）叠线（1）B（2）（2（1）A'的新的从头绝热势能面和束缚态计算）SO2的状态（vol 144，174301，2016）
2. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2)(2(1)A ') states of SO2 (vol 144, 174301, 2016) [J] . Klos Jacek, Alexander Millard H., Kumar Praveen, The Journal of Chemical Physics . 2016,第20期

机译：单线态地基（X）叠线（1）A（1）和激发态（C）叠线（1）B（2）（2（1）A'的新的从头绝热势能面和束缚态计算）SO2的状态（vol 144，174301，2016）
3. New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2)(2(1)A ') states of SO2 [J] . Klos Jacek, Alexander Millard H., Kumar Praveen, The Journal of Chemical Physics . 2016,第17期

机译：单线态地基（X）叠线（1）A（1）和激发态（C）叠线（1）B（2）（2（1）A'的新的从头绝热势能面和束缚态计算）SO2的状态
4. Hel2 Van der Waals Complex: Ab initio Ground and Electronic Excited Potential Surfaces for Studying Dynamics [C] . Rita Prosmiti, Alvaro Valdes, Leonor Garcia-Gutierrez, Computational methods in science and engineering: advances in computational science . 2008

机译：Hel2 Van der Waals复合体：用于研究动力学的从头算地面和电子激发势面
5. Investigation on the mechanism of wear of single crystal diamond tool in nanometric cutting of iron using molecular dynamics (MD) and the development of generalized potential energy surfaces (GPES) based on ab initio calculations . [D] . Narulkar, Rutuparna. 2009

机译：基于从头算的分子动力学（MD）研究铁纳米加工中单晶金刚石刀具的磨损机理以及广义势能面（GPES）的发展。
6. On the Construction of Diabatic and Adiabatic Potential Energy Surfaces Based on Ab Initio Valence Bond Theory [O] . Lingchun Song, Jiali Gao -1

机译：基于从头算价键理论的绝热和绝热势能面的构造
7. Publisher’s Note: “New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground X̃1A1 and excited C̃1B2(21A′) states of SO2” J. Chem. Phys. 144, 174301 (2016) [O] . Jacek Kłos, Millard H. Alexander, Praveen Kumar, 2016

机译：出版商注：“新的AB Initio绝热势能表面和突出的X1A1和兴奋的C1B2（21A'）状态的突出状态计算”J。化学。物理。 144,174301（2016）
8. MCSCF Potential Energy Surface for the High Barrier Adiabatic L(4)Sigma- Pathway of the 0(+)(Quartet S)+N(2)(X Singlet Sigma Gerade+) becoming NO(+)(X Singlet Sigma+)+N(Quartet S) Reaction [R] . Hopper, D. G. 1979

机译：高阻隔绝热L（4）的mCsCF势能面0（+）（四方s）+ N（2）（X单重态西格玛Gerade +）成为NO（+）（X单重态sigma +）+ N（四方s）反应

New ab initio adiabatic potential energy surfaces and bound state calculations for the singlet ground (X)over-tilde(1)A(1) and excited (C)over-tilde(1)B(2)(2(1)A ') states of SO2 (vol 144, 174301, 2016)

著录项

引文网络

相似文献

相关主题

期刊订阅