دانلود مقالات ISI درباره Spin–Orbit Coupling (Soc) + ترجمه فارسی

Theoretical investigation on activation of ethene by the HNbN− anion in the gas phase

Keywords: Density functional theory (DFT); Catalyze; Crossing point (CP); Spin-orbit coupling (SOC);

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2016 سفارش ترجمه

Theoretical study on the low-lying excited states of the phosphorus monoiodide (PI) including the spin-orbit coupling

Keywords: Phosphorus monoiodide (PI); Potential energy curve (PEC); Spectroscopic constant; MRCI+Q; Spin-orbit coupling (SOC); Transition probability;

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2016 سفارش ترجمه

Theoretical investigation on activation of CH and CC bonds of 2-butyne by gas-phase Nb atom

Keywords: Minimal energy crossing point (MECP); Spin-orbit coupling (SOC); Intersystem crossing (ISC);

دانلود رایگان متن کامل مقاله ISI 24 صفحه سال انتشار : 2016 سفارش ترجمه

On the gas-phase PtOn+ (n = 1, 2) catalyzed reduction of N2O by H2: A density functional study

Keywords: N2O and H2; PtOn+ (n = 1, 2); Minimum energy crossing point (MECP); Spin-orbit coupling (SOC); TOF;

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2013 سفارش ترجمه

Theoretical investigation for the mediated activation of the C-CN in CH3CN by Zr atom in the gas phase

Keywords: Potential energy surfaces (PESs); Activation strain model; Curtin-Hammett principle (CHP); Crossing points (CPs); Spin-orbit coupling (SOC);

دانلود رایگان متن کامل مقاله ISI 7 صفحه سال انتشار : 2013 سفارش ترجمه

Theoretical investigations of spin-orbit coupling and kinetics in reaction NO2 with CO catalyzed by gas phase bare Ir+

Keywords: NO2 and CO; Ir+; Minimum energy crossing point (MECP); Spin-orbit coupling (SOC); Turnover frequency (TOF);

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2012 سفارش ترجمه

Theoretical studies on the reaction of NO2 with CO catalyzed by bare Os+ cations and its kinetic information

Keywords: NO2 and CO; Os+; Minimum energy crossing point (MECP); Spin-orbit coupling (SOC); δE; TOF;

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2012 سفارش ترجمه

On the catalytic role of Co+ in the oxygen transport activation of N2O by CO

Keywords: Co+; Density functional theory; Spin-orbit coupling (SOC); Crossing point; CCSD(T);

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2012 سفارش ترجمه

New insights into the two catalyst cycles of the Pt+-catalyzed oxidation of methane by oxygen: Spin-orbit coupling, spin-inversion probabilities, and kinetic information

Keywords: DFT; Spin-orbit coupling (SOC); Landau-Zener-type theory; Energetic span;

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2012 سفارش ترجمه

A DFT study of two-state reactivity on the reaction of N2O with Sc+ in the gas phase

Keywords: Sc+ and N2O; Density functional theory (DFT); Reaction mechanism; Minimum energy crossing point (MECP); Spin-orbit coupling (SOC);

دانلود رایگان متن کامل مقاله ISI 5 صفحه سال انتشار : 2011 سفارش ترجمه

Theoretical views on the cycle reaction of N2O (1Σ+) + NH3 (1A1) + O21Σg+ catalyzed by Fe+ and utilizing the energy span model to study its kinetic information

Keywords: DFT; MECP; Spin-orbit coupling (SOC); Kinetic information;

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2011 سفارش ترجمه

A theoretician's view of the Ce+ mediated activation of the NH bond in ammonia

Keywords: Density functional theory (DFT); Reaction mechanism; Minimum energy crossing point (MECP); Spin-orbit coupling (SOC);

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

Theoretical study of activation of the C-H bond in C2H4 by the group 5 metal atoms (V, Nb, Ta) in the gas-phase

Keywords: Density function theory (DFT); Potential energy surfaces; Minimum-energy crossing point (MECP); Spin-orbit coupling (SOC);

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2011 سفارش ترجمه

A theoretical study of the reaction of La+ with N2O in the gas phase

Keywords: Density functional theory (DFT); Reaction mechanism; Minimum-energy crossing point (MECP); Spin-orbit coupling (SOC);

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2010 سفارش ترجمه