Keywords: تئوری خوشه همپوشانی; Nucleobases; Differential mobility spectrometry; Hydrogen-deuterium exchange; Enhanced product ion; Density functional theory; Coupled cluster theory; Clusters;
مقالات ISI تئوری خوشه همپوشانی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: تئوری خوشه همپوشانی; Heme; Imidazole; H2S binding; Electronic states; Density functional theory; Coupled cluster theory;
Keywords: تئوری خوشه همپوشانی; Computational chemistry; Dative bonding; Density functional theory; Cheminformatics; Coupled cluster theory; Molecular modeling; Molecular informatics; Chemical data repositories;
Keywords: تئوری خوشه همپوشانی; Rotational spectroscopy; Vibrational spectroscopy; Dipole surfaces; Coupled cluster theory; Møller–Plesset perturbation theory
Keywords: تئوری خوشه همپوشانی; Coupled cluster theory; Density functional theory; Dispersion energy correction; Hartree-Fock theory; Non-covalent complex; Protein-ligand interaction energy;
Can DFT and ab initio methods adequately describe binding energies in strongly interacting C6X6â¯C2Xn Ï-Ï complexes?
Keywords: تئوری خوشه همپوشانی; Ï-Ï stacking; Density functional theory; Dispersion correction; Coupled cluster theory; W1-F12 theory; G4 theory;
A simple and efficient dispersion correction to the Hartree-Fock theory (3): A comprehensive performance comparison of HF-Dtq with MP2 and DFT-Ds
Keywords: تئوری خوشه همپوشانی; Basis set superposition error; Complete basis set; Coupled cluster theory; Density functional theory; Dispersion energy correction; Geometrical correction for BSSE; Hartree-Fock theory; Møller-Plesset perturbation theory; Ligand-protein interaction
A theoretical study of the microhydration of iodic acid (HOIO2)
Keywords: تئوری خوشه همپوشانی; Iodic acid; Hydration; Thermodynamics; DFT; Coupled cluster theory;
A benchmark test suite for proton transfer energies and its use to test electronic structure model chemistries
Keywords: تئوری خوشه همپوشانی; Barrier height; Coupled cluster theory; Density functional theory; Electronic structure; Energy of reaction; Molecular orbital theory; PMO method; Proton transfer;
The optimized orbital coupled cluster doubles method and optical rotation
Keywords: تئوری خوشه همپوشانی; Quantum chemistry; Coupled cluster theory; Optical rotation;
On the approximation of the similarity-transformed Hamiltonian in single-reference and multireference coupled cluster theory
Keywords: تئوری خوشه همپوشانی; Coupled cluster theory; Canonical transformation theory; Backer-Campbell-Hausdorff formula; Potential energy surface; Mukherjee multireference coupled cluster theory;
On the vibrational spectra of HSO and SOH
Keywords: تئوری خوشه همپوشانی; Reduced sulfur compounds; Coupled cluster theory; Anharmonic force fields; Vibrational spectra; Vibration–rotation corrections; Correlation consistent basis set; Rotational constants
Complex coupled-cluster approach to an ab-initio description of open quantum systems
Keywords: تئوری خوشه همپوشانی; 21.60.Gx; 21.10.Tg; 24.30.Gd; 27.20.+n; Nuclear structure calculations; Coupled Cluster theory; Weakly bound nuclei; Ground state resonances;
Conformational topology of ribose: A computational study
Keywords: تئوری خوشه همپوشانی; Ribose; MP2; Coupled cluster theory; Ab initio; Potential energy surface;
An externally-corrected size-extensive single-root MRCC formalism: Its kinship with the rigorously size-extensive state-specific MRCC theory
Keywords: تئوری خوشه همپوشانی; MRCC theory; Coupled cluster theory; Multi-reference; State-specific;
Orbital invariant single-reference coupled electron pair approximation with extensive renormalized triples correction
Keywords: تئوری خوشه همپوشانی; Coupled cluster theory; Coupled electron pair approximation; Orbital invariant; Renormalized triples corrections; Diatomics; Spectroscopic constants; Dunham analysis; Potential energy curves;