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18 results with keyword: 'calculation of intermolecular interactions via diffusion monte carlo'

Calculation of Intermolecular Interactions via Diffusion Monte Carlo

One of the simplest ab initio electronic structure theory methods, Hartree-Fock, aims to find the single-determinant wave function with the lowest energy in a given basis set..

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Nottinghamshire Local Transport Plan Evidence Base Report

Figure 20: Travel times by public transport to major employment destinations in Newark & Sherwood district... Figure 21: Travel times by public transport to major

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2021
Nottinghamshire Local Transport Plan Evidence Base Report 15. Parking 15.1 Park and Ride

Following the introduction of the CPE scheme, the percentage of vehicles violating parking restrictions on weekdays decreased in the commercial areas of all of the towns

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Nottinghamshire Local Transport Plan Evidence Base Report

Table 14 below details the percentage of households with access to doctors’ surgeries by public transport within 20 and 40 minutes, whilst table 15 details the percentage of

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2021
Movie-driven fMRI Reveals Network Asynchrony and Connectivity Alterations in Temporal Lobe Epilepsy

Results of a 2x2 mixed ANOVA reveal a significant Condition X Group interaction such that PWE did not differ from controls during resting state, while in the movie condition,

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2020
Nottinghamshire Local Transport Plan Evidence Base Report

Many of the surviving habitat fragments receive some form of nature conservation designation, either as Sites of Special Scientific Interest (SSSIs), or as Sites of Importance

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2021
Update on Systems Transformation. City of Tacoma City Manager s Office Study Session 8/3/2021

Anti-Racist Transformation Objective Development City Program & Transformation Objective Alignment Identify Priority Transformation Projects. Deploy Centralized Resources to

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2021
SUPERMARKET (ITE Land Use 850) Daily Trip Generation (Weekday) T = (X) + 1, Where T = number of daily trips, X = 1,000 square feet of

The purpose of this letter is to document the traffic and parking impacts associated with the construction of a liquor store at the existing Fort Myers Beach Publix

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Blue Island Post Office Direct Number

throughout new jersey via usps domestic shipping service provides the package is delivered to blue island historic architectural and blue island post office direct number in il

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The willingness to accept/willingness to pay disparity in repeated markets : loss aversion or 'bad deal' aversion?

Keywords : WTA/WTP disparity, price sensitivity, bad-deal aversion, Vickrey.. auctions, reference-dependence,

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ETHICAL COMMUNICATION ISSUE OF TRUSTWORTHINESS AND ITS IMPACT ON ORGANIZATIONAL EFFICIENCY OF THE NIGERIAN IMMIGRATION SERVICE, RIVERS STATE Bestman, A. E., & Maamah, B. L.

The study found that trustworthiness as an ethical communication tool significantly relates to the efficiency of the Nigerian Immigration Service in Rivers State.. Trustworthiness

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ATM 298, Spring 2013 Lecture 14 Model Biases Verifica@on and Valida@on May 22, 2013

CAM5 Clouds Global  maps  of  observed  and  COSP-­‐simulated   annual  mean  total  cloud  frac@on  using  ISCCP   InternaLonal  Satellite  Cloud  Climatology

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RESEARCHES REGARDING COW-MILK’S QUALITY OBTAINED IN THREE FARMS FORM ALBA COUNTY

Milk samples from the tank that was obtained from three dairy cow farms, were collected monthly from January till November 2007 with the purpose to determine the

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Effective Wave Guide Model (Ewgm) for Resonant Frequency Computation of Rectangular Dielectric Resonator Antennas

EFFECTIVE WAVE GUIDE MODEL (EWGM) FOR RES- ONANT FREQUENCY COMPUTATION OF RECTANGU- LAR DIELECTRIC RESONATOR

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National insolvent trading program report REPORT 213

A key objective of the Australian Securities and Investments Commission’s ASIC national insolvent trading program NITP was to encourage directors to seek professional advice at an

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Proving Termination of Imperative Programs via Term Rewriting ⋆

by PA -based rewrite rules from P ∪ {l → rJCK}. Thus, assume some infinite chain contains.. 3) } by the termination processor of Theorem 22 since the rewrite rules (2) and (3) are

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Gemeenskapsgebaseerde teater : 'n Suid-Afrikaans georienteerde ondersoek

Gemeenskapsgebaseerde teateraktiwiteite in Suid-Afrika word meestal benoem met die volgende terme: Gemeenskapsteater, Populêre Teater, Teater vir Ontwikkeling, "People's Theatre",

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