ライフサイエンスコーパス: in vacuo

1 r shifts predicted already for these systems in vacuo.

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

3 enes) that have not been heretofore examined in vacuo.

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

5 found to be the global minima configurations in vacuo.

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

7 is worked up simply by removing the catalyst in vacuo.

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

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

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

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

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

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

14 In vacuo and solvated DFT calculations of geminal and vi

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

16 e it exists as a zwitterion that is unstable in vacuo and therefore cannot be characterized using hig

17 formational entropies are usually determined in vacuo by computer modeling, molecular recognition pro

18 trast to the preferred conformation found by in vacuo calculations.

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

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

21 h MD simulations, which indicate significant in vacuo dynamics between linked folded domains.

22 own that improvement could be achieved using in vacuo energy minimization with molecular mechanics an

23 % helium atmosphere and analysed by crushing in vacuo followed by melting, and yield a minimum olivin

24 Additional in vacuo FTIR experiments under temperature-programmed d

25 ccurring carbonates of calcium and magnesium in vacuo has revealed that, surprisingly, anomalous isot

26 h silica gel, with the solvent being removed in vacuo, heated to 700 degrees C to remove the addends,

27 oth significantly larger than those obtained in vacuo, indicating that the difference arises from the

28 position at 700 degrees C of the Nd compound in vacuo led to the formation of a phase mixture of NdSe

29 ro techniques, it is instructive to consider in vacuo methodologies: for example native mass spectrom

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

31 We compared these experimental results with in vacuo molecular dynamics (MD) simulations of SAP, dur

32 cribe the controlled synthesis and isolation in vacuo of an array of charge-substituted phenylperoxyl

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

34 polarizable force field accurately reproduce in vacuo quantum mechanical results, experimental ion-cl

35 nalog of a protonated Schiff base of retinal in vacuo reveal two excited states S1 and S2, the potent

36 rein, we provide a comprehensive overview of in vacuo tetrapyrrole metallation, addressing two-dimens

37 lvent, and evaporation of the dimethyl ether in vacuo, the alpha-methylstyrene is added and the solut

38 d from ab initio calculations on tri-glycine in vacuo to obtain an extended 3(1) helix-like structure

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

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

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

42 The axial elastic moduli, in vacuo, were found to be 1.25 GPa and 1.34 GPa for alp

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

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

45 efinement calculations were carried out both in vacuo, without internally coordinated K+ cations, and

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

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