ライフサイエンスコーパス: vacuo

1 hifts predicted already for these systems in vacuo.

2 s) that have not been heretofore examined in vacuo.

3 acid by direct hydrogenation over Cu{110} in vacuo.

4 ed by desolvation of the blue solid phase in vacuo.

5 nd to be the global minima configurations in vacuo.

6 lored at the MP2/6-31+G** level of theory in vacuo.

7 worked up simply by removing the catalyst in vacuo.

8 ed to be 211.6 degrees and -175.1 degrees in vacuo.

9 ar triple bond is 50.4 kJ/mol less stable in vacuo according to the calculation, and the N-heterocycl

10 Quantum chemical modeling in vacuo also finds no difference, aside from the expected

11 trapping is observed on the (101) surface in vacuo, an excess electron at the aqueous (101) interface

12 p) and MP2/6-311++G(d,p) levels of theory in vacuo and aqueous phases) formulated tautomerization for

13 e firefly oxyluciferin lumophore isolated in vacuo and complexed with a single water molecule.

14 In vacuo and solvated DFT calculations of geminal and vicin

15 ut a profound difference is found between in vacuo and solvated reaction profiles, as expected.

16 t exists as a zwitterion that is unstable in vacuo and therefore cannot be characterized using high-l

17 parenchymal calcifications, hydrocephalus ex vacuo, and cerebellar hypoplasia.

18 mational entropies are usually determined in vacuo by computer modeling, molecular recognition proces

19 st to the preferred conformation found by in vacuo calculations.

20 warming of vapor-deposited amorphous ices in vacuo, clathrate hydrates can form by rearrangements in

21 E(2)(tau) when epsilon(tau) is set to the in vacuo dielectric value of 1.

22 D simulations, which indicate significant in vacuo dynamics between linked folded domains.

23 that improvement could be achieved using in vacuo energy minimization with molecular mechanics and s

24 elium atmosphere and analysed by crushing in vacuo followed by melting, and yield a minimum olivine-m

25 Additional in vacuo FTIR experiments under temperature-programmed deso

26 rring carbonates of calcium and magnesium in vacuo has revealed that, surprisingly, anomalous isotopi

27 ilica gel, with the solvent being removed in vacuo, heated to 700 degrees C to remove the addends, an

28 significantly larger than those obtained in vacuo, indicating that the difference arises from the la

29 ition at 700 degrees C of the Nd compound in vacuo led to the formation of a phase mixture of NdSe2,

30 techniques, it is instructive to consider in vacuo methodologies: for example native mass spectrometr

31 F)(3) and 3(S) x (THF)(4), suggested that in vacuo modeling of the SSIPs was problematic.

32 compared these experimental results with in vacuo molecular dynamics (MD) simulations of SAP, during

33 s in comparison with silver for practical ex vacuo nonsolution applications.

34 be the controlled synthesis and isolation in vacuo of an array of charge-substituted phenylperoxyl ra

35 crom and incident light with wavelengths (in vacuo) of 400, 550, and 700 nm.

36 arizable force field accurately reproduce in vacuo quantum mechanical results, experimental ion-clust

37 og of a protonated Schiff base of retinal in vacuo reveal two excited states S1 and S2, the potential

38 n, we provide a comprehensive overview of in vacuo tetrapyrrole metallation, addressing two-dimension

39 nt, and evaporation of the dimethyl ether in vacuo, the alpha-methylstyrene is added and the solution

40 rom ab initio calculations on tri-glycine in vacuo to obtain an extended 3(1) helix-like structure fo

41 PMe3 may be thermally removed from 1-PMe3 in vacuo to produce (4)A2' (silox) 3Mo (1), which was deriv

42 The method is tested on systems in vacuo to validate the energy scheme.

43 nuclear receptor PPARgamma were generated in vacuo using Tripos's SYBYL and used as the training set

44 The axial elastic moduli, in vacuo, were found to be 1.25 GPa and 1.34 GPa for alpha-

45 trans amide conformer was the most stable in vacuo, while the cis-trans-cis-trans (ctct) or trans-cis

46 on onto very thin carbon foils, decorated in vacuo with tungsten, and imaged at low voltage.

47 nement calculations were carried out both in vacuo, without internally coordinated K+ cations, and in

48 handed helix based on molecular mechanics in vacuo yielded 46 conformations within 20 kcal/mol of the

49 e 2:1 stoichiometry at 800 degrees C/72 h/in vacuo yields alpha-Zr(2)N(2)S with the expected layered