相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Relativistic self-consistent GW: Exact two-component formalism with one-electron approximation for solids
Chia -Nan Yeh et al.
PHYSICAL REVIEW B (2022)
Four isomers of In2H2: a careful comparison between theory and experiment
Henry F. Mull et al.
MOLECULAR PHYSICS (2021)
Coupled-cluster techniques for computational chemistry: The CFOUR program package
Devin A. Matthews et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Why is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis
Emilie B. Guidez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Systematic First-Principles Configuration-Interaction Calculations of Linear Optical Absorption Spectra in Silicon Hydrides: Si2H2n (n=1-3)
Pritam Bhattacharyya et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2019)
New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Benjamin P. Pritchard et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)
The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds
Chandrajeet Mohapatra et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Intrinsic Reaction Coordinate: Calculation, Bifurcation, and Automated Search
Satoshi Maeda et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
The vibrational bound states of isomerising disilyne
Mark M. Law et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
NBO 6.0: Natural bond orbital analysis program
Eric D. Glendening et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2013)
The potential energy surface of isomerising disilyne
Mark M. Law et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
The Nature of the Idealized Triple Bonds Between Principal Elements and the σ Origins of Trans-Bent Geometries-A Valence Bond Study
Elina Ploshnik et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Thermochemical Property Estimation of Hydrogenated Silicon Clusters
Andrew J. Adamczyk et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2011)
Structures and bonding situation of Pb2X2 (X = H, F, Cl, Br and I)
Taka Shimizu et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
μ- and μ4-η2 coordination of A2H2 (A = C, Si, Ge, Sn and Pb) ligands with transition metals
Gantasala N. Srinivas et al.
INORGANICA CHIMICA ACTA (2009)
Synthesis and reactions of a stable 1,2-diaryl-1,2-dibromodisilene: A precursor for substituted disilenes and a 1,2-diaryldisilyne
Takahiro Sasamori et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Frozen core and effective core potentials in symmetry-adapted perturbation theory
Konrad Patkowski et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Why do the heavy-atom analogues of acetylene E2H2 (E = Si-Pb) exhibit unusual structures?
M Lein et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
A stable compound containing a silicon-silicon triple bond
A Sekiguchi et al.
SCIENCE (2004)
Toward subchemical accuracy in computational thermochemistry: Focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers
MS Schuurman et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The diagonal Born-Oppenheimer correction beyond the Hartree-Fock approximation
EF Valeev et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Triple bonds between heavier Group 14 elements. A theoretical approach
S Nagase et al.
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2000)