| 1 |
31860313 | Correction to "Calculation of 15N NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels". | 2020 Jan 9 |
2 |
| 2 |
32003902 | Extended Koopmans' theorem at the second-order perturbation theory. | 2020 May 5 |
1 |
| 3 |
31465226 | Calculation of 15N NMR Chemical Shifts in a Diversity of Nitrogen-Containing Compounds Using Composite Method Approximation at the DFT, MP2, and CCSD Levels. | 2019 Oct 3 |
1 |
| 4 |
31500265 | Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I. Structures and Thermal Effects. | 2019 Sep 7 |
1 |
| 5 |
31458237 | Pristine and Carboxyl-Functionalized Tetraphenylethylene-Based Ladder Networks for Gas Separation and Volatile Organic Vapor Adsorption. | 2018 Nov 30 |
2 |
| 6 |
26645810 | A theoretical investigation of the energetics and spectroscopic properties of the gas-phase linear proton-bound cation-molecule complexes, XCH(+)-N2 (X = O, S). | 2016 Jan |
1 |
| 7 |
27182630 | Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions. | 2016 Jul 14 |
1 |
| 8 |
26531304 | A theoretical investigation into the strength of N-NO2 bonds, ring strain and electrostatic potential upon formation of intermolecular H-bonds between HF and the nitro group in nitrogen heterocyclic rings C n H2n N-NO2 (n = 2-5), RDX and HMX. | 2015 Nov |
1 |
| 9 |
25028064 | Bonding and spectroscopic properties of complexes of SO₂-O₂ and SO₂-N₂ and its atmospheric consequences. | 2014 Sep 7 |
1 |
| 10 |
25234271 | Boron and other triel Lewis acid centers: from hypovalency to hypervalency. | 2014 Oct 6 |
1 |
| 11 |
23423181 | Study of boron-nitrogen dative bonds using azetidine inversion dynamics. | 2013 Mar 28 |
1 |
| 12 |
20858066 | Transdermal permeation of novel n-acetyl-glucosamine/NSAIDs mutual prodrugs. | 2012 Jan-Feb |
2 |
| 13 |
22739353 | A theoretical exploration of unexpected amine···π interactions. | 2012 Aug 14 |
1 |
| 14 |
22998279 | Embedded cluster density functional and second-order Møller-Plesset perturbation theory study on the adsorption of N2 on the rutile (110) surface. | 2012 Sep 21 |
1 |
| 15 |
23194315 | Gas-phase deprotonation of the peptide backbone for tripeptides and their methyl esters with hydrogen and methyl side chains. | 2012 Dec 27 |
1 |
| 16 |
21686172 | Nitrogen substituted phenothiazine derivatives: modelling of molecular self-assembling. | 2011 |
1 |
| 17 |
20950000 | A comparative computational study of hydrogen and lithium-bonded complexes. | 2010 Oct 14 |
1 |
| 18 |
19663410 | Solvent dependence of the N-methylacetamide structure and force field. | 2009 Sep 3 |
1 |
| 19 |
18406109 | Cation dinitrogen complexes [N(2)...X...N(2)]+, X+=H+, Li+, Na+, Be(2+), Mg(2+). | 2008 Jul-Sep |
1 |
| 20 |
18950143 | Acido-base behavior of hydroxamic acids: experimental and ab initio studies on hydroxyureas. | 2008 Nov 20 |
1 |
| 21 |
17113343 | Theoretical studies on NMR chemical shifts in azacubanes. | 2007 Jul |
1 |
| 22 |
17477046 | [Torsion lability of the O=C-N-H fragment in single dipeptide molecules of L-amino acids]. | 2007 Mar-Apr |
1 |
| 23 |
16555885 | Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller. | 2006 Mar 21 |
1 |
| 24 |
16759133 | What makes the cylinder-shaped N72 cage stable? | 2006 Jun 15 |
1 |
| 25 |
16824775 | Theoretical study on the cylinder-shaped N78 cage. | 2006 Dec |
1 |
| 26 |
16834223 | Gas-phase structure of protonated histidine and histidine methyl ester: combined experimental mass spectrometry and theoretical ab initio study. | 2005 Sep 22 |
1 |
| 27 |
16839104 | Some electronic correlation effects in the topological analysis of the Laplacian of the electronic charge density in C-n-butonium cations. | 2005 Jan 13 |
1 |
| 28 |
15327321 | Ab initio study of the SN1Ar and SN2Ar reactions of benzenediazonium ion with water. On the conception of "unimolecular dediazoniation" in solvolysis reactions. | 2004 Sep 1 |
2 |
| 29 |
10840691 | Improved AMBER torsional parameters for the N-N rotational barrier in diacylhydrazines. | 1999 Oct-Dec |
2 |
| 30 |
9008868 | Gas-phase protonation of pyridine. A variable-time neutralization-reionization and Ab initio study of pyridinium radicals. | 1997 Jan |
1 |
| 31 |
11671912 | Trends in Inversion Barriers of Group 15 Compounds. 3. Are Fluorinated Pyridone Derivatives Planar or Nonplanar? | 1997 Nov 14 |
1 |
| 32 |
11666716 | The Dinitramide Anion, N(NO(2))(2)(-). | 1996 Aug 14 |
1 |