the electronic structures of homonuclear diatomic molecules

... validate the method and then present the calculated data of the electronic properties of a special incommensurate TBG configuration with the twist angle of 30◦ Depending on the choice of the twist ... Together with the approximation of the finiteness of the Hilbert space of 2N-dimension, we now discuss the effects of the two computational parameters N and M We present in Fig 2 the variation of ... In this Hamiltonian, the terms in the square bracket define the hopping of the 2pz electrons in a monolayer of graphene The layer is labeled by the indexν The ket vectors of the basis set for this

Ngày tải lên: 02/03/2020, 14:20

... 5Introduction 1 Part I The House Market 1 Dispositions of the Agents and the Structure of the Field of Production 2 The State and the Construction of the Market 3 The Field of Local Powers 4 A Contract ... wholly (in the case of the ‘castors’) by themselves, often with the help of work colleagues or members of their families Among new house-buyers who are the first owners of the dwellings theyoccupy, ... control of the means of payment andcredit, training of labour and the regulation of immigration, and the definitionand imposition of the rules of the economic game, such as, for example, thelabour

Ngày tải lên: 14/09/2020, 15:28

... behavior In the remainder of the paper, we discuss the limitations of the present study and the implications of the study for future research Limitations of the Present Study The findings ... beliefs), the centralization measure focuses on whether there is a singular authority, or a group of people, that determines the content of the SOF The SOFs were examined to determine the number ... -DISCUSSION The purpose of this study was to begin to examine the effects of religious values on the structures and practices of religious places of worship Due to the preliminary nature of the study,

Ngày tải lên: 18/10/2022, 22:05

... because of approximations The DLPNO-CCSD(T) calculation can calculate 99% of the correlation energy of the CCSD(T) calculation Trang 2 STUDY THE STABLE STRUCTURES OF ScGe6 BY GA-DFT 31 AND THE ... group, so the calculations were reduced to the C point group The figure and energy values of Trang 7molecular orbitals of 1A' state of A1 isomer of ScGe6- cluster as in Figure 4 The electronic ... Angstrom This result is the same as the result of Feng, R., et al [27] The CO adsorption processes were performed by optimizing the random structure of the CO molecule on the surface of ScGe6 − cluster

Ngày tải lên: 25/10/2022, 11:26

... often model their standards and performance metrics on the UK and US educational frameworks.In this part of the report we review briefly the demography, economic activity and HE&R sector of the ... sector of the three cities, to justify the relevance of comparing their HE&R systems The table presents the main indicators for the three regions and highlights their similarities in population size ... provide further information and statistics on the HE&R sector of the three metropolitan areas Paris, London and Boston have similar number of students although in this case the leadership of Paris

Ngày tải lên: 27/10/2022, 16:49

... because they are close to the carbon skeleton of the inhibitors rather than to their polar atoms All 68 in-hibitors were placed as if they were avoiding the position of the two water O atoms The ... calculated to be the variation The graph shows the variations for each amino acid and they are listed in the order of the exposed surface area The vertical axis on the left is the exposed surface ... group of the inhibitor-bound units (Fig 4c: the first group, the Oη atoms are colored red) The other group (Fig 4d: the second group, the Oη atoms are col-ored cyan) had aromatic ring of the inhibitors

Ngày tải lên: 19/11/2022, 11:49

... number at the bottom of the valve; HT is the difference between the water level in the chamber and in the top elevation of the gallery behind the valve of the water- conveyance system; L np is the ... is the superposition of the downstream submerge water depth and the water fluctuations of the free flow section; and L and F(L) are the length of the pressure flow section and the area of the ... dissipation area, the elevations of the scouring pit are all higher than that of the base of the guide wall Therefore, the opera-tion of the flood discharge facility is safe 2.2 Design method of large

Ngày tải lên: 04/12/2022, 15:00

... shown in the molecular structures of the probe molecules These shifts were slightly different in the presence of the different stationary phases The shaded areas indicate the location of the excitation ... [45–47] The efficiency and the degree of saturation trans- fer depend on the orientation and position of the solute molecules relative to the support and their interaction dynamics, in particu- lar the ... saturation of the methyl protons of BTMA at their 3.02 ppm shift Even worse, the N -methyl protons “trans” and “cis” to the formyl proton of DMF have shifts of 3.00 and 2.76 ppm ( cf Fig 2), where the

Ngày tải lên: 25/12/2022, 00:54

... the same velocity with the atom velocity The probe detuning is ∆�= −��(𝑣�/�), where ��is the frequency of probe laser, 𝑣� is the velocity of the atom in z direction, c is the speed of light The ... photomultiplier tubes The probe and coupling beams were counter propagating through the Rb vapor cell The expander was used in the probe laser to reduce the beam size of the probe The beam size of the probe ... MHz, which changes the linewidth of the EIT spectrum, has the value 20 MHz In Figure 5, the EIT spectrum in the simulation and the experiment can fit in the linewidth 56 MHz but the dips in two

Ngày tải lên: 05/01/2023, 22:23

... (2017) 105e114 Trang 2The exploitation of the physical properties of any compoundrequires focusing on the relationship between the pressure and the structure In fact, the study of the material structure ... explained by the effect of temperature on these two transitions and generally on the properties of each phase Therefore, it is very important to study the thermodynamic properties and the effect of temperature ... However the most noticeable change under pressure effect is the behavior of the values of bulk modulus in the antifluorite phase of Mg2Sn which increases with pressure to exceed the value of the two

Ngày tải lên: 05/02/2021, 11:16

... (2017) 105e114 Trang 2The exploitation of the physical properties of any compoundrequires focusing on the relationship between the pressure and the structure In fact, the study of the material structure ... explained by the effect of temperature on these two transitions and generally on the properties of each phase Therefore, it is very important to study the thermodynamic properties and the effect of temperature ... However the most noticeable change under pressure effect is the behavior of the values of bulk modulus in the antifluorite phase of Mg2Sn which increases with pressure to exceed the value of the two

Ngày tải lên: 17/03/2021, 20:11

... attack on the anomeric carbon of fructose The leaving group is carboxylate of Asp54 Dimerization The asymmetric units of the crystals of both the apo and complexed form of the enzyme consist of dimers ... blades in the axis area are of polar character The water channel in the apo form of the enzyme runs along the axis of the b-propeller through the whole domain and is only blocked by Cys236 in the area ... fructofuranose molecule Six water molecules occupy the )1 binding site in the native enzyme The catalytic mechanism of hydrolysis The fructose present in the crystal structure of the complex is the

Ngày tải lên: 06/03/2014, 00:21

... sequenced Of these, 10 clones were found to encode the LC2 and LC1 sub-units Others were found to encode other variants of the C-lectin-like venom proteins The amino acid sequences of both subunits ... HC, the light chains appear to con-fer the substrate specificities of RVV-X [12] Collec-tively, the primary sequences of the three subunits of RVV-X (Figs 4 and 5) suggest the possible presence of ... peptide of 23 residues, and the predicted sequence for its mature protein matches that published previously [8] The amino acid sequences of LC1 and LC2, together with those of other homologues of

Ngày tải lên: 07/03/2014, 06:20

... sources of stabilization of nucleic acid duplexes, their comparison, especially in the vicinity of the mismatch in PDwt compared with DDwt duplex may give clues towards deciphering the origin of the ... pointing inside the helix On the other hand, this facilitates in the formation of hydrogen bond with N3 of purines and O2 of pyrimidines either directly (Fig 10A,C,E,G) or through water molecules Fig ... the corresponding AT(6–7) step in PDmut(Fig 2E) through interaction of A6 with either the six-member ring of T7 or through the methyl group and⁄ or O4 of T7 Thus, base stack-ing prevails at the

Ngày tải lên: 07/03/2014, 21:20

... appeals, the number of requests pending at the end of the fiscal year, the median number of days that requests have been pending, the median number of days required to process requests, the amount of ... “a use or purpose that furthers the commercial, trade or profit interests of the requester or the person on whose behalf the request is being made.” The second level of fees exempts educational ... StudyThe 1966 Freedom of Information Act (FOIA) established the public’s right of access to government information, on the basis of openness and accountability The 1996 Electronic Freedom of Information

Ngày tải lên: 08/03/2014, 14:20

... and stored electronically Since 2001, the agency has been working to acquire the Electronic Records Archives (ERA) system NARA selected the standards of the Institute of Electrical and Electronics ... In 2001, the agency hired a contactor to develop policies and plans to support and guide the acquisition of the ERA system NARA selected the standards of the Institute of Electrical and Electronics ... volumes of all types and formats of electronic records that are free from dependency on any specific type of hardware or software.The agency is seeking a system that balances the use of commercial off-the-shelf

Ngày tải lên: 08/03/2014, 14:20

... product they are developing The agency then advises the company on what tests would be appropriate for the company to assess the safety of the new food After the studies are completed, the data ... impact testing. Last year and the first few months of 2003, Southern Africa was on the verge of a catastrophe It was on the brink of famine and is not out of the woods yet The United States Government ... — one of the most promising new technologies of our times — is too important for the future prosperity of the world to ignore. Biotechnology is one of the most promising new technologies of our

Ngày tải lên: 13/03/2014, 21:57

... hand, and on the other by the attitude of the speaker towards the message and the addressee "Thus into the domain of the organization of utterance pertains all that is connected with the processual ... basic hypotheses, the second of which can conveniently be elaborated in terms of Ong's list of the characteristics of an orally-based language The two hypotheses and their respective sub-hypotheses ... aspect of utterance (in contrast to the abstract and static character of the other two levels), that is to say, the dynamism of the relations between the meanings of individual lexical items in the...

Ngày tải lên: 24/02/2014, 18:20

... critical They include the outcome of various studies that the authors have been involved with over a number of years with a variety of partners They also include a study of the works of a number of ... means the downfall of the corporation you work for Don’t believe us? The printing press nearly killed off one of the largest corporations in history – the Catholic Church At the start of the sixteenth ... live and work In fact, they are revolutionizing it The outcome of this fact is that the balance of power in the business world is shifting In very short order, the theory of the firm is going to...

Ngày tải lên: 03/06/2014, 01:21

... on the electronic structures of BNNTs Figure 7a,b,c,d,e shows the PDOS of s and p orbitals of B68 and N35 atoms as well as the summation of these orbitals for the (8,0) BNNT At strain of 0, there ... l z(t ) is the length of the BNNT in the axial b BNNT (6,6) The normal strain in the axial direction of the BNNT is given by (2) j where is the average radius of atom i and rij is the distance ... address the influence of axial tensions on the electronic properties of (8,0) zigzag and (5,5) armchair BNNTs Although the stress-strain profiles indicate the mechanical properties of these two...

Ngày tải lên: 21/06/2014, 05:20