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 ained by desolvation of the blue solid phase in vacuo.

4 found to be the global minima configurations in vacuo.

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

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

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

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

9 MIL-100(Fe) under reaction conditions (523 K in vacuo, 378-408 K C(3)H(8) + N(2)O).

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

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

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

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

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

15 To bridge the gap between in vacuo and in-solution behavior, we use unbiased molec

16 e reactions have not heretofore been studied in vacuo and provide valuable data that can be compared

17 In vacuo and solvated DFT calculations of geminal and vi

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

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

20 By performing in-vacuo angle-resolved photoemission spectroscopy (ARPE

21 cogen vacancies are selectively generated by in-vacuo annealing, but also focused ion beam exposure.

22 d MgO atomic layers were fabricated using an in vacuo atomic layer deposition process.

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

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

25 respectively, within 15% of their predicted in vacuo charge state limits.

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

27 ico models was lower compared to that of the in vacuo data, which may reflect reduced sampling.

28 These findings indicate that in vacuo deep-freezing minimizes denaturation and mainta

29 he agreement between phi from experiment and in vacuo DFT indicates that the conformation is intrinsi

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

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

32 In vacuo (electron impact-EI) and ambient ionisation (el

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

34 % helium atmosphere and analysed by crushing in vacuo followed by melting, and yield a minimum olivin

35 Additional in vacuo FTIR experiments under temperature-programmed d

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

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

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

39 The S(1) band of the electronic spectrum in vacuo is broad, despite ion trap temperatures of 20 K

40 al activation (CA) of ions in the gas phase (in vacuo) is an important method for the study of protei

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

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

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

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

45 behavior in-solution and is in line with the in vacuo observations; however, the theoretical collisio

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

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

48 Heating L-chn-1-M-NO3 in vacuo or above 383 K resulted in removal of the aqua

49 Facing Components (PFC) as measured with an in-vacuo probe.

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

51 istillation and sublimation at 220 degrees C in vacuo, respectively, providing a promising sustainabl

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

53 Herein, we report an in vacuo temperature-controlled cyclodehydrogenation of

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

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

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

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

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

59 dynamics (MD) to create in silico models of in vacuo unfolding of a well-studied protein, the N-term

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

61 ies of singly deprotonated biliverdin anions in vacuo, using a combination of cryogenic ion spectrosc

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

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

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

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

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

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