Search Results - "Subodh, S."
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Cluster-in-Cluster Approach for Computing MP2-Level Vibrational Infrared Spectra of Large Molecular Clusters
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (09-05-2024)“…Constructing the Hessian matrix (HM) for large molecules demands huge computational resources. Here, we report a cluster-in-cluster (CIC) procedure for…”
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Combining fragmentation method and high-performance computing: Geometry optimization and vibrational spectra of proteins
Published in The Journal of chemical physics (28-07-2023)“…Exploring the structures and spectral features of proteins with advanced quantum chemical methods is an uphill task. In this work, a fragment-based molecular…”
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3
Increasing Failure of Miltefosine in the Treatment of Kala-azar in Nepal and the Potential Role of Parasite Drug Resistance, Reinfection, or Noncompliance
Published in Clinical infectious diseases (01-06-2013)“…Background. Miltefosine (MIL), the only oral drug for visceral leishmaniasis (VL), is currently the first-line therapy in the VL elimination program of the…”
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Development and testing of an algorithm for efficient MP2/CCSD(T) energy estimation of molecular clusters with the 2–body approach
Published in Journal of computational chemistry (30-01-2023)“…This work reports the development and testing of an automated algorithm for estimating the energies of weakly bound molecular clusters employing correlated…”
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Enabling Rapid and Accurate Construction of CCSD(T)-Level Potential Energy Surface of Large Molecules Using Molecular Tailoring Approach
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03-03-2022)“…The construction of a potential energy surface (PES) of even a medium-sized molecule employing correlated theory, such as CCSD(T), is arduous due to the high…”
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Pragmatic Many-Body Approach for Economic MP2 Energy Estimation of Molecular Clusters
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (13-06-2019)“…We propose a procedure, within the many-body analysis (MBA) framework, for an economic yet accurate estimation of the correlated method-based energies of large…”
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More evidence on the impact of India's conditional cash transfer program, Janani Suraksha Yojana: quasi-experimental evaluation of the effects on childhood immunization and other reproductive and child health outcomes
Published in PloS one (10-10-2014)“…In 2005, India established a conditional cash transfer program called Janani Suraksha Yojana (JSY), to increase institutional delivery and encourage the use of…”
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Hydrogen bond energy estimation (H‐BEE) in large molecular clusters: A Python program for quantum chemical investigations
Published in Journal of computational chemistry (15-02-2024)“…A procedure, derived from the fragmentation‐based molecular tailoring approach (MTA), has been proposed and extensively applied by Deshmukh and Gadre for…”
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Sine cosine bird swarm algorithm-based deep convolution neural network for reversible medical video watermarking
Published in Multimedia tools and applications (01-10-2023)“…Recently, advancements in multimedia have made a huge impact on watermarking technologies. The digital video watermarking is the process of embedding the data…”
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Constructing Potential Energy Surface with Correlated Theory for Dipeptides Using Molecular Tailoring Approach
Published in Chemphyschem (16-05-2023)“…We demonstrate a cost‐effective alternative employing the fragment‐based molecular tailoring approach (MTA) for building the potential energy surface (PES) for…”
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Ring-Polymer Instanton Tunneling Splittings of Tropolone and Isotopomers using a Δ‑Machine Learned CCSD(T) Potential: Theory and Experiment Shake Hands
Published in Journal of the American Chemical Society (03-05-2023)“…Tropolone, a 15-atom cyclic molecule, has received much interest both experimentally and theoretically due to its H-transfer tunneling dynamics. An accurate…”
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Effect of Inclusive Early Childhood Development (IECD) on Growth and Development of Children in the Rural Part of the Central India: A Cohort Study
Published in Indian journal of pediatrics (29-01-2024)“…To compare the difference between the growth and developmental status of the children who were residing in the area where Inclusive Early Childhood Development…”
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The burden of child and maternal malnutrition and trends in its indicators in the states of India: the Global Burden of Disease Study 1990-2017
Published in The lancet child & adolescent health (01-12-2019)“…Malnutrition is a major contributor to disease burden in India. To inform subnational action, we aimed to assess the disease burden due to malnutrition and the…”
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A randomized Phase III clinical trial to assess the efficacy of a bovine-human reassortant pentavalent rotavirus vaccine in Indian infants
Published in Vaccine (27-10-2017)“…•Pentavalent reassortant rotavirus vaccine was tested for efficacy in infants.•The vaccine (BRV-PV) showed excellent tolerability and a good safety…”
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Compensation in Neonatal Clinical Trials: A Perspective
Published in Indian pediatrics (15-05-2024)“…Well conducted clinical trials are the mainstay for generating evidence on preferred treatments. In order to adequately protect the interests of the trial…”
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Social branding for health promotion against non-communicable diseases in Maharashtra, India
Published in Health education journal (01-11-2024)“…Introduction: The burden of non-communicable diseases (NCDs) is a major challenge for countries, regardless of their level of development. Social branding is…”
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Role of central endpoint adjudication and challenges in trials on neonatal sepsis-a case of ProSPoNS trial
Published in Current controlled trials in cardiovascular medicine (05-07-2024)“…Despite progress in reducing the infant mortality in India, the neonatal mortality decline has been slower, necessitating concerted efforts to achieve…”
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Structures, energetics and vibrational spectra of (H2O)32 clusters: a journey from model potentials to correlated theory
Published in Molecular physics (18-10-2015)“…Empirical model potentials are found to be very useful for generating most competitive minima of large water clusters, whereas correlated (e.g. second…”
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Methodology for adapting a co-created early childhood development intervention and implementation strategies for use by frontline workers in India and Guatemala: a systematic application of the FRAME-IS framework
Published in Global health action (31-12-2024)“…There is little evidence on optimizing the effectiveness and implementation of evidence-based early childhood development (ECD) interventions when task-shifted…”
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School Health Services in India: Status, Challenges and the Way Forward
Published in Indian journal of pediatrics (01-12-2023)“…Schools provide a crucial platform for health and well-being interventions targeting children and adolescents. Early promotive and preventive initiatives are…”
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