1232 related articles for article (PubMed ID: 20866136)
1. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of nickel carbide (NiC) and its cation (NiC+).
Lau KC; Chang YC; Shi X; Ng CY
J Chem Phys; 2010 Sep; 133(11):114304. PubMed ID: 20866136
[TBL] [Abstract][Full Text] [Related]
2. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formations of iron carbide (FeC) and its cation (FeC+).
Lau KC; Chang YC; Lam CS; Ng CY
J Phys Chem A; 2009 Dec; 113(52):14321-8. PubMed ID: 19775110
[TBL] [Abstract][Full Text] [Related]
3. High-level ab initio predictions for the ionization energy, bond dissociation energies, and heats of formation of cobalt carbide (CoC) and its cation (CoC+).
Lau KC; Pan Y; Lam CS; Huang H; Chang YC; Luo Z; Shi X; Ng CY
J Chem Phys; 2013 Mar; 138(9):094302. PubMed ID: 23485289
[TBL] [Abstract][Full Text] [Related]
4. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
Lo PK; Lau KC
J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
[TBL] [Abstract][Full Text] [Related]
5. High-Level ab Initio Predictions for the Ionization Energies, Bond Dissociation Energies, and Heats of Formation of Titanium Oxides and Their Cations (TiO
Pan Y; Luo Z; Chang YC; Lau KC; Ng CY
J Phys Chem A; 2017 Jan; 121(3):669-679. PubMed ID: 28075604
[TBL] [Abstract][Full Text] [Related]
6. Accurate ab initio predictions of ionization energies and heats of formation for the 2-propyl, phenyl, and benzyl radicals.
Lau KC; Ng CY
J Chem Phys; 2006 Jan; 124(4):044323. PubMed ID: 16460178
[TBL] [Abstract][Full Text] [Related]
7. Theoretical prediction of the ionization energies of the C4H7 radicals: 1-methylallyl, 2-methylallyl, cyclopropylmethyl, and cyclobutyl radicals.
Lau KC; Zheng W; Wong NB; Li WK
J Chem Phys; 2007 Oct; 127(15):154302. PubMed ID: 17949144
[TBL] [Abstract][Full Text] [Related]
8. High-level ab initio predictions for the ionization energy, electron affinity, and heats of formation of cyclopentadienyl radical, cation, and anion, C5H5/C5H5+/C5H5-.
Lo PK; Lau KC
J Phys Chem A; 2014 Apr; 118(13):2498-507. PubMed ID: 24621131
[TBL] [Abstract][Full Text] [Related]
9. High-Level Ab Initio Predictions for the Ionization Energy, Bond Dissociation Energies, and Heats of Formation of Vanadium Methylidyne Radical and Its Cation (VCH/VCH
Lam CS; Lau KC; Ng CY
J Phys Chem A; 2019 Aug; 123(34):7454-7462. PubMed ID: 31414807
[TBL] [Abstract][Full Text] [Related]
10. A high-resolution pulsed field ionization-photoelectron-photoion coincidence study of vinyl bromide.
Qian XM; Lau KC; Ng CY
J Chem Phys; 2004 Jun; 120(23):11031-41. PubMed ID: 15268133
[TBL] [Abstract][Full Text] [Related]
11. Structures and heats of formation of simple alkali metal compounds: hydrides, chlorides, fluorides, hydroxides, and oxides for Li, Na, and K.
Vasiliu M; Li S; Peterson KA; Feller D; Gole JL; Dixon DA
J Phys Chem A; 2010 Apr; 114(12):4272-81. PubMed ID: 20201583
[TBL] [Abstract][Full Text] [Related]
12. Structures and energetics of H(6)(+) clusters.
Hao Q; Simmonett AC; Yamaguchi Y; Fang DC; Schaefer HF
J Phys Chem A; 2009 Dec; 113(48):13608-20. PubMed ID: 19852448
[TBL] [Abstract][Full Text] [Related]
13. Reliable predictions of the thermochemistry of boron-nitrogen hydrogen storage compounds: BxNxHy, x = 2, 3.
Matus MH; Anderson KD; Camaioni DM; Autrey ST; Dixon DA
J Phys Chem A; 2007 May; 111(20):4411-21. PubMed ID: 17444621
[TBL] [Abstract][Full Text] [Related]
14. MRCI study on electronic spectrum of 13 electronic states of SiP molecule.
Shi D; Xing W; Liu H; Sun J; Zhu Z
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov; 97():536-45. PubMed ID: 22842348
[TBL] [Abstract][Full Text] [Related]
15. Accurate ab initio predictions of ionization energies of hydrocarbon radicals: CH2, CH3, C2H, C2H3, C2H5, C3H3, and C3H5.
Lau KC; Ng CY
J Chem Phys; 2005 Jun; 122(22):224310. PubMed ID: 15974671
[TBL] [Abstract][Full Text] [Related]
16. Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations.
Grant DJ; Dixon DA; Francisco JS; Feller D; Peterson KA
J Phys Chem A; 2009 Oct; 113(42):11343-53. PubMed ID: 19780577
[TBL] [Abstract][Full Text] [Related]
17. On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions.
Peterson KA; Shepler BC; Figgen D; Stoll H
J Phys Chem A; 2006 Dec; 110(51):13877-83. PubMed ID: 17181347
[TBL] [Abstract][Full Text] [Related]
18. Electronic spectrum of 17 electronic states of BN molecule: a theoretical study.
Shi D; Xing W; Liu H; Sun J; Zhu Z; Liu Y
Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jul; 93():367-78. PubMed ID: 22495220
[TBL] [Abstract][Full Text] [Related]
19. Heats of formation of xenon fluorides and the fluxionality of XeF(6) from high level electronic structure calculations.
Dixon DA; de Jong WA; Peterson KA; Christe KO; Schrobilgen GJ
J Am Chem Soc; 2005 Jun; 127(24):8627-34. PubMed ID: 15954767
[TBL] [Abstract][Full Text] [Related]
20. Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.
Schuurman MS; Muir SR; Allen WD; Schaefer HF
J Chem Phys; 2004 Jun; 120(24):11586-99. PubMed ID: 15268193
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
