Transition state wave packet study of quantum molecular dynamics in complex systems

... dynamics o 2.4 Transition State Time-Dependent Quantum Dynamics 2.4.2 22 Transition State Wave Packet Method The quantum transition state wavepacket method [8, 9, 10, 16] was developed mainly to calculate ... should be kinds of vibrational states with energy determined by the excited state on S1 Thus, transition state wave packet can better simulate this pr...

Ngày tải lên: 13/09/2015, 19:53

... Cumulants of heat for product initial state for 1D linear chain113 3.6 Cumulants of heat for steady state initial state for 1D linear chain 114 3.7 The structure of a ... significant interest in the study of quantum transport But it has its origin dates back in quantum optics where the statistics of the number of photons, emitted from a source, is studied...

Ngày tải lên: 08/09/2015, 19:39

... CbHs CdHs CeHs CfH NH CaH CbH CdHs CeHs NH CaH CbH CdH NH CaH CbH CdHs CeHs CfH NH CaH CbH CbHÂ CdHs CeHs OH NH CaH CbH3 NH CaH CbH CcH3 NH CaH CbH CbHÂ CcH CdH3 CdH3Â NH CaH CbH3 NH CaH CbH ... NH CaH CbH CbHÂ NdH NH CaH CbH CcH3 NH CaH CbH CcH3 CcH3Â NH CaH CbH CbH CdHs CfH NH CaH CaHÂ NH CbH CbHÂ CdHs CeHs CfH NH CaH CbH CdHs CeHs CfH NH CaH CbHs CcH CeH3 CaH CbH CcHs CcHÂ CdH3 3.25 ... po...

Ngày tải lên: 23/03/2014, 17:22

... (between and 24 h) used by the authors In another study, 258 differentially expressed genes were identified in C gigas in response to exposure to hydrocarbons for and 21 days [22], and some of these genes ... among the down -regulated genes Expression of herbicide -regulated genes The time-dependent expression of 13 genes that were up -regul...

Ngày tải lên: 30/03/2014, 15:20

... the superficial zone that fundamentally leads to the lesion of articular surface and early OA CT, ultrasound and MRI also provide a way to study the degeneration of AC and OA but these imaging ... image using Alcian Blue staining was obtained to grade the physiological status of AC in terms of International Cartilage Research Society (ICRS) scores an...

Ngày tải lên: 20/06/2014, 01:20

... through the structure The position of the PBG can be determined by selection of proper thicknesses and refractive indices Since we are interested in optical frequencies, the radius of the metallic ... when the resonance energy of the lower levels is within the band gap, the system is in an absorbing state However, when the resonance energy of the lower le...

Ngày tải lên: 22/06/2014, 00:20

... THEORETICAL STUDY OF THE MOLECULAR PROCESSES OCCURRING DURING THE GROWTH OF SILICON ON Si(100) AND SiXGe1- X /Si(100) LIM CHIANG HUAY, FREDA (B.Sc (Hons.) NUS) A THESIS SUBMITTED FOR THE DEGREE ... atomic-scale processes occurring on the surface of a semiconductor during the molecular beam epitaxial growth of the material The focus...

Ngày tải lên: 14/09/2015, 11:52

... compare the safety and efficacy of three bone health Plans using three independent sequentially enrolled groups of healthy women 40 years of age and older The primary outcome measure was changes in ... reviewed in the meta-analysis cited above As for the unusual finding of the increased BMD levels found in the three study groups, the superiority...

Ngày tải lên: 25/10/2012, 11:10

... an Indian Tribal population Journal of Associated Physician Of India 1986; 34:567-570 Hazarika NC, Biswas D, Mahanta J Hypertension in the elderly population of Assam Journal of Associated Physician ... 42-55% in Indian Mustard Fish oil is the main source of omega-3 fatty acids (EPA- eicosapentaenoic acid and DHA -docosahexaenoic acid) and also omega-6 fatty acids- two main cl...

Ngày tải lên: 02/11/2012, 11:12

... developed in this paper proposes a procedure for integrated and multicriteria evaluation and selection of wastewater treatment scenarios through a case study in Toan Thang, a small town in Vietnam ... Province, Vietnam, Water Supply and Sanitation Programme for Towns in Vietnam, Ministry of Construction, Vietnam (in Vietnamese) Viwase (2007b) Report...

Ngày tải lên: 05/09/2013, 10:15

... Khanaqin Haditha 34 H-1 Hit 160 Km Ramadi Rutbah Baghdad Habbaniyah 33 Karbalaa AL-Hillah Kut AL-Hai Nukhaib Najaf 32 Diwaniya Amarah Semawa Nassriyah 31 Basrah AL-Salman Bussaya Shaibah Fao 30 39 ... same four points as shown in Figure Zakho 37 Rabiah Salahaddin Sinjar Mousl Tallafar Arbil 36 Sulaimaniyah Kirkuk Chamchamal Baiji 35 Tikrit Latitude ( Degree ) Ana Samarra AL-Qaim Khanaqin Ha...

Ngày tải lên: 05/09/2013, 17:03

... communication However, the and learning, or to be more precisely, an insight into how to speech acts of dispraising and responding to dispraise have been respond to dispraises in English and Vietnamese ... strategies used at the highest rates by both American and Vietnamese informants are Explanation and Strategies OPTING OUT 12 out of 13 strategies appear i...

Ngày tải lên: 26/11/2013, 13:21

... syntax and semantics English and Vietnamese idioms denoting family This study made Firstly, syntactic features of English and Vietnamese idioms use of contrastive analysis in qualitative and quantitative ... idioms denoting family? What are the semantic features of English and Vietnamese idioms denoting family? What are the similarities and...

Ngày tải lên: 26/11/2013, 13:28

... lands and discriminated from the uncanny race of local inhabitants about appearance, Swift wanted to indirectly blame an aspect of the discrimination That was the discriminating attitude of the ... growing of colloquialism in practice as well as in literature What is more, the appearing of a great deal of books of travel and traveling was one of the favorite...

Ngày tải lên: 14/12/2013, 00:41

... measure the mobility of the components in the PGCs The medaka embryo was peeled off the chorion, and the segment containing the part of PGCs was excised for observation by microscopy and FCS ... dynamic nature of the nuage Schematic diagram of the preparation of PGCs of medaka specimen (A) OlvasGFP was expressed in the medaka PGC at stage 24 and...

Ngày tải lên: 18/02/2014, 16:20