an Woke gaming: digital challenges to opression and social injustice / edited by Kishonna L. Gray and David J. Leonard By library.mit.edu Published On :: Sun, 3 May 2020 07:23:24 EDT Dewey Library - GV1469.34.S52 W65 2018 Full Article
an FMCG companies step up new product launches in health and hygiene space By economictimes.indiatimes.com Published On :: 2020-04-27T18:49:54+05:30 Most launched hand sanitisers initially, but are expanding their portfolio by entering newer categories such as floor and surface cleaners, disinfectant sprays and immunity building products. Full Article
an FMCG companies take direct route to customer homes By economictimes.indiatimes.com Published On :: 2020-04-29T01:07:45+05:30 Consumer goods companies have started selling products directly to consumers. Full Article
an Two big trends - local grocer, ecommerce: HUL's Sanjiv Mehta By economictimes.indiatimes.com Published On :: 2020-05-01T12:06:46+05:30 "There are two big trends emerging. One is the relevance of the humble grocer and people have realised that they are so close to you… proximity, and (that’s) such a big benefit. The second would be on ecommerce. With people becoming more averse to stepping out, they would like to place the order from home and receive it at home. " Full Article
an As the great reopening gets underway starting Monday, how will the consumption story pan out? By economictimes.indiatimes.com Published On :: 2020-05-02T23:00:00+05:30 The lockdown has seen people exhausting their stock of liquor, cigarettes and other sin goods. Full Article
an ITC ltd ramps up production to meet demand for sanitisers By economictimes.indiatimes.com Published On :: 2020-05-03T16:27:01+05:30 Fast-moving consumer goods major ITC Ltd has ramped up personal care production to meet the demand for sanitisers. Full Article
an Didn't anticipate India to shut down like this, says Colgate-Palmolive CEO By economictimes.indiatimes.com Published On :: 2020-05-03T16:45:29+05:30 Over the past few weeks, chief executives of Unilever, Mondelez, Hershey's Procter & Gamble, Coca-Cola and Kimberly Clark have said India’s Covid-19 lockdown protocols had led to severe supply chain disruptions and labour shortages, hurting business in the key market. Full Article
an Some sunshine from FMCG, durables companies amid gloom & doom By economictimes.indiatimes.com Published On :: 2020-05-04T01:05:27+05:30 The maker of Lux soap and Lipton tea, which employs about 21,000 people and reported a 7% decline in volumes for the March quarter, said it is revisiting any further increases planned for the rest of the year. Full Article
an Dabur India resumes production at all manufacturing locations By economictimes.indiatimes.com Published On :: 2020-05-05T21:31:51+05:30 In view of the fresh guidelines issued by the Ministry of Home Affairs on May 1 and after evaluating the ground situation, the company has resumed production at all manufacturing locations, Dabur India said in a regulatory filing. Full Article
an GSK selling $3.45 bln stake in Hindustan Unilever: Source By economictimes.indiatimes.com Published On :: 2020-05-06T18:55:24+05:30 GlaxoSmithKline is selling $3.45 billion worth of shares in Unilever's Indian business on the open market, one of the bookrunners organising the transaction said. The 5.7% stake in Hindustan Unilever, now put on the market, was accepted by GSK as payment for the sale of malted drink brand Horlicks and other nutrition brands to Unilever, agreed in late 2018. Full Article
an [ASAP] Transport and Spectroscopy in Conjugated Molecules: Two Properties and a Single Rationale By feedproxy.google.com Published On :: Mon, 20 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01122 Full Article
an [ASAP] Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT By feedproxy.google.com Published On :: Mon, 20 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00086 Full Article
an [ASAP] Steering Molecular Dynamics Simulations of Membrane-Associated Proteins with Neutron Reflection Results By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00136 Full Article
an [ASAP] The ONIOM/PMM Model for Effective Yet Accurate Simulation of Optical and Chiroptical Spectra in Solution: Camphorquinone in Methanol as a Case Study By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00124 Full Article
an [ASAP] Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C<sub>36</sub> Fullerene and an Iron Porphyrin Model Complex By feedproxy.google.com Published On :: Wed, 22 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00055 Full Article
an [ASAP] Insight into the Origin of Chiral-Induced Spin Selectivity from a Symmetry Analysis of Electronic Transmission By feedproxy.google.com Published On :: Wed, 22 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01078 Full Article
an [ASAP] <sup>13</sup>C NMR Relaxation Analysis of Protein GB3 for the Assessment of Side Chain Dynamics Predictions by Current AMBER and CHARMM Force Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00050 Full Article
an [ASAP] Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T) By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00065 Full Article
an [ASAP] Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00229 Full Article
an [ASAP] Update to Our Reader, Reviewer, and Author Communities—April 2020 By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00394 Full Article
an [ASAP] Photoinduced Double Proton Transfer in the Glyoxal–Methanol Complex Revisited: The Role of the Excited States By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00007 Full Article
an [ASAP] Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00126 Full Article
an [ASAP] Revealing Acquired Resistance Mechanisms of Kinase-Targeted Drugs Using an on-the-Fly, Function-Site Interaction Fingerprint Approach By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01134 Full Article
an [ASAP] Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01294 Full Article
an [ASAP] Exploiting a Mechanical Perturbation of a Titin Domain to Identify How Force Field Parameterization Affects Protein Refolding Pathways By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00080 Full Article
an [ASAP] Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00057 Full Article
an [ASAP] Scalable Electron Correlation Methods. 7. Local Open-Shell Coupled-Cluster Methods Using Pair Natural Orbitals: PNO-RCCSD and PNO-UCCSD By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00192 Full Article
an [ASAP] Tight-Binding Modeling of Uranium in an Aqueous Environment By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00089 Full Article
an [ASAP] Calculation of Anharmonic IR and Raman Intensities for Periodic Systems from DFT Calculations: Implementation and Validation By feedproxy.google.com Published On :: Tue, 28 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01061 Full Article
an [ASAP] Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01298 Full Article
an [ASAP] Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00070 Full Article
an [ASAP] Nuclear Quantum Effects from the Analysis of Smoothed Trajectories: Pilot Study for Water By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b00703 Full Article
an [ASAP] Polarizable Molecular Dynamics Simulations of Two <italic toggle="yes">c-kit</italic> Oncogene Promoter G-Quadruplexes: Effect of Primary and Secondary Structure on Loop and Ion Sampling By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00191 Full Article
an [ASAP] Benchmarking Correlated Methods for Frequency-Dependent Polarizabilities: Aromatic Molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2), and SOPPA(CCSD) Methods By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01300 Full Article
an [ASAP] Stability of Two-Quartet G-Quadruplexes and Their Dimers in Atomistic Simulations By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01068 Full Article
an [ASAP] Reduced-Order Modeling Approach for Electron Transport in Molecular Junctions By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01090 Full Article
an [ASAP] Efficient Analytic Second Derivative of Electrostatic Embedding QM/MM Energy: Normal Mode Analysis of Plant Cryptochrome By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01145 Full Article
an [ASAP] Balancing Density Functional Theory Interaction Energies in Charged Dimers Precursors to Organic Semiconductors By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01193 Full Article
an [ASAP] Markov State Model Analysis of Haloperidol Binding to the D<sub>3</sub> Dopamine Receptor By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00013 Full Article
an [ASAP] Binding Dynamics of siRNA with Selected Lipopeptides: A Computer-Aided Study of the Effect of Lipopeptides’ Functional Groups and Stereoisomerism By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01261 Full Article
an [ASAP] Predicting Reactive Cysteines with Implicit-Solvent-Based Continuous Constant pH Molecular Dynamics in Amber By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00258 Full Article
an [ASAP] OPUS-Fold: An Open-Source Protein Folding Framework Based on Torsion-Angle Sampling By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00186 Full Article
an [ASAP] Generalized Moment Correction for Long-Ranged Electrostatics By feedproxy.google.com Published On :: Thu, 07 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01003 Full Article
an [ASAP] A Two-Ended Data-Driven Accelerated Sampling Method for Exploring the Transition Pathways between Two Known States of Protein By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01184 Full Article
an [ASAP] Electronic Structure of Multicomponent Organic Molecular Materials: Evaluation of Range-Separated Hybrid Functionals By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00138 Full Article
an [ASAP] Spin–Orbit Matrix Elements for a Combined Spin-Flip and IP/EA approach By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00103 Full Article
an 'Delhi-Mum road project offers investment chances' By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 10:46:23 GMT The upcoming Rs 1 lakh cr Delhi-Mumbai Expressway project offers huge investment opportunities for investors, Union minister Nitin Gadkari said, urging players to invest in proposed townships & wayside amenities. The minister also exhorted industry players to look into the possibilities of setting up clusters of leather, plastic and other products along the highway. Full Article
an Loan defaulters flee, SBI complains after 4 yrs By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 07:18:02 GMT Three promoters of Ram Dev International, recently booked by the Central Bureau of Investigation (CBI) for allegedly cheating a consortium of six banks to the tune of Rs 411 crore, have already fled the country before the State Bank of India (SBI) reached the agency with the complaint, officials said on Saturday. Full Article
an Fake: Amit Shah doesn't have ‘bone cancer’ By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 11:18:01 GMT A tweet attributed to Home Minister Amit Shah’s verified Twitter handle, in which he says that he has bone cancer is being circulated across social media platforms. In the tweet, Shah can be seen imploring Muslims to pray for his good health during Ramzan. Full Article
an Centre, Bengal in tussle over migrant trains By timesofindia.indiatimes.com Published On :: Sat, 09 May 2020 11:38:35 GMT The return of migrant workers to West Bengal has become another flashpoint between the Centre and the TMC-led state government with home minister Amit Shah alleging that the state government is not allowing special trains. However, the TMC government accused the Centre of "lying" and said they have planned eight trains to ferry migrants. Full Article