Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Minggang Guo"'
Publikováno v:
Natural Gas Industry B, Vol 2, Iss 6, Pp 489-498 (2015)
To accelerate the petroleum exploration in deep sea of China, since the period of “the 11th Five-Year Plan”, the sedimentary process, source rock formation and hydrocarbon generation and expulsion process in deep-water area of the Qiongdongnan Ba
Externí odkaz:
https://doaj.org/article/cbb7744ad7c2439fb8c0c60a6a2222d6
Autor:
Mei Tang, Guoliang Li, Minggang Guo, Guilin Liu, Yuqian Huang, Shuqiong Zeng, Zhenwei Niu, Nina Ge, Yaoming Xie, Henry F. Schaefer
Publikováno v:
Physical Chemistry Chemical Physics. 25:6780-6789
Comparison of the potential energy surface including the ZPVE corrections of the highly exothermic hydrogen abstraction reaction H2Te + OH with the H2Se + OH, H2S + OH, and H2O + OH reactions at the CCSD(T)/5Z level.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::18f6fbb104c220f6dbbe914e4b30a658
https://doi.org/10.1039/d2cp05989d
https://doi.org/10.1039/d2cp05989d
Publikováno v:
International Journal of Hydrogen Energy. 47:28086-28094
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b354959082ac691489164d8dd56b292
https://doi.org/10.1016/j.ijhydene.2022.06.129
https://doi.org/10.1016/j.ijhydene.2022.06.129
Autor:
Bo Pang, Zihao Fan, Wanting Chen, Xiaoming Yan, Ruohan Du, Xiaozhou Wang, Xuemei Wu, Fujun Cui, Minggang Guo, Gaohong He
Publikováno v:
Journal of Materials Chemistry A. 10:24510-24518
Interconnective sieving pores are fabricated by the hydrolysis of ionic clusters in precursor ion-conductive membranes to provide a versatile strategy for the proton transport-ion selectivity trade-off in vanadium flow batteries.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::11c413da584f8bd9fdf9236292a6fcc7
https://doi.org/10.1039/d2ta05778f
https://doi.org/10.1039/d2ta05778f
Publikováno v:
International Journal of Quantum Chemistry. 122
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5793e96461fcfb7aedf152bc76a2c074
https://doi.org/10.1002/qua.26981
https://doi.org/10.1002/qua.26981
Publikováno v:
The Journal of Physical Chemistry A. 125:4079-4088
Cyclic C3H3 is the simplest cyclic hydrocarbon, but its configuration is complicated. The ground 2E″ state at the equilateral triangle geometry with D3h symmetry undergoes both Jahn-Teller (JT) distortion and pseudo-Jahn-Teller (PJT) distortion to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::430a54add63d10b28f9e1d5f25556178
https://doi.org/10.1021/acs.jpca.1c01007
https://doi.org/10.1021/acs.jpca.1c01007
Publikováno v:
Physical Chemistry Chemical Physics. 22:26178-26188
Theoretical study of coinage metal dihalides is challenging due to their complex electron correlation and relativistic effects, particularly the spin-orbit coupling (SOC) effect. Furthermore, vibrational frequencies and characters of their low-lying
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0b6f1ea122f231b9876980000b784fac
https://doi.org/10.1039/d0cp04988c
https://doi.org/10.1039/d0cp04988c
Publikováno v:
Molecular Physics. 119
Calculating the contribution of triples ((T)) to the correlation energy, the density matrices and the constant terms in the Λ equation is the most expensive steps in obtaining analytic energy gradi...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dbb3a42be59137c16368fc62fb0507b1
https://doi.org/10.1080/00268976.2021.1974591
https://doi.org/10.1080/00268976.2021.1974591
Autor:
Yuanxin Fang, Haozhe Cui, Bo Chen, Wanting Chen, Xuehua Ruan, Xuemei Wu, Fujun Cui, Minggang Guo, Gaohong He
Publikováno v:
Chemical Engineering Science. 262:117996
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::67ee7958415b41891660e8edc98cf21d
https://doi.org/10.1016/j.ces.2022.117996
https://doi.org/10.1016/j.ces.2022.117996
Publikováno v:
Chemical Physics Letters. 730:54-59
CIS(D∞) method provides reasonable valence excitation energies, but fails for Rydberg states. A corrected CIS(D∞) method is proposed where excitation energies are calculated based on the energy expression in EOM-CCSD(2) using wavefunctions from C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12b1c3a3e45f60bea08b9d68890640c0
https://doi.org/10.1016/j.cplett.2019.05.029
https://doi.org/10.1016/j.cplett.2019.05.029