浮标
发表于 2025-3-21 19:20:59
书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules影响因子(影响力)<br> http://impactfactor.cn/if/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules影响因子(影响力)学科排名<br> http://impactfactor.cn/ifr/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules网络公开度<br> http://impactfactor.cn/at/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules网络公开度学科排名<br> http://impactfactor.cn/atr/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules被引频次<br> http://impactfactor.cn/tc/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules被引频次学科排名<br> http://impactfactor.cn/tcr/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules年度引用<br> http://impactfactor.cn/ii/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules年度引用学科排名<br> http://impactfactor.cn/iir/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules读者反馈<br> http://impactfactor.cn/5y/?ISSN=BK0881774<br><br> <br><br>书目名称Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of Small Molecules读者反馈学科排名<br> http://impactfactor.cn/5yr/?ISSN=BK0881774<br><br> <br><br>
Adjourn
发表于 2025-3-21 22:03:52
Calculation and Characterization of Reaction Valleys for Chemical Reactions,d along two distinct pathways, a direct pathway and an addition-elimination pathway. We find that the reaction path/valley method provides many insights into the detailed dynamics of chemical reactions.
占卜者
发表于 2025-3-22 02:16:25
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违反
发表于 2025-3-22 08:33:46
Kinetic Paths from the Hyperspherical Perspective: , Potential Energy Surface for the ,(,,) + ,, Re) as a function of the kinetic radius are computed at the Complete Active Space SCF level. Along the kinetic paths energies are refined using extensive Multi-Reference Configuration Interaction calculations.
世俗
发表于 2025-3-22 08:53:26
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清醒
发表于 2025-3-22 15:10:03
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孤独无助
发表于 2025-3-22 21:01:16
Recent Advances in Electronic Structure Theory and Their Influence on the Accuracy of , Potential Eaccuracy that currently can be achieved for molecular systems. In particular, the F+H. → HF+H potential energy hypersurface is used to illustrate the impact of these computational advances on the calculation of potential energy surfaces.
Mendicant
发表于 2025-3-23 00:03:46
Exact Quantum Results for Reactive Scattering using Hyperspherical (APH) Coordinates,unction Hamiltonian. This surface function Hamiltonian parametrically depends on the hyperradius giving sector adiabatic basis functions. We will report on 4 distinct methods for solving this surface function Hamilitonian:
SPURN
发表于 2025-3-23 01:39:34
1389-2185the wealth of information provided by laser, molecular beam and fast How experiments. By stressing ordinary scalar computers to their limiting performance quantum chemistry codes can already provide sufficiently accurate estimates of the stability of several small molecules and of the reactivity of
Gesture
发表于 2025-3-23 09:22:30
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