K. Jose

发表

Construction of high-dimensional neural network potentials using environment-dependent atom pairs.

J. Behler, Nongnuch Artrith, K. Jose, 2012, The Journal of chemical physics.

Fragment-Based Approach for the Evaluation of NMR Chemical Shifts for Large Biomolecules Incorporating the Effects of the Solvent Environment.

K. Raghavachari, K. Jose, K. V. Jovan Jose, 2017, Journal of chemical theory and computation.

Molecules‐in‐Molecules Fragment‐Based Method for the Accurate Evaluation of Vibrational and Chiroptical Spectra for Large Molecules

K. Raghavachari, K. Jose, 2017 .

Molecules-in-molecules fragment-based method for the calculation of chiroptical spectra of large molecules: Vibrational circular dichroism and Raman optical activity spectra of alanine polypeptides.

K. Raghavachari, K. Jose, 2016, Chirality.

Brønsted Acid Promoted Thermal-Ring-Rearrangement of Fluorenopyrans to 2-(1H -Inden-3-yl)-9H -fluoren-3-ols Bearing Two All-Carbon-Quaternary Centres

K. Jose, Srinivasarao Yaragorla, T. Khan, 2020, European Journal of Organic Chemistry.

Iodo-Cycloisomerization of Aryl(indol-3-yl)methane-Tethered Propargyl Alcohols to 3-Iodocarbazoles via Selective 1,2-Alkyl Migration

K. Jose, Debojyoti Bag, Srinivasarao Yaragorla, 2018, ACS omega.

Carbazole-based π-conjugated 2,2′-Bipyridines, a new class of organic chromophores: Photophysical, ultrafast nonlinear optical and computational studies

K. Jose, Samar K. Das, S. V. Rao, 2021 .

Experimental and theoretical investigation of intramolecular cooperativity in cyclic benzene trimer motif

K. Jose, D. Masram, M. Sathiyendiran, 2019, RSC advances.

Synthetic access to calix[3]pyrroles via meso-expansion: hosts with diverse guest chemistry.

K. Jose, P. Panda, Narendra N. Pati, 2020, Chemical communications.

Spatiotemporal Growth Anomalies in Photoisomerizable Cyanostilbene-Based Crystals Triggered by Light

K. Jose, M. Annadhasan, Rajadurai Chandrasekar, 2021 .

A2B- and A3-Type Boron(III)Subchlorins Derived from meso-Diethoxycarbonyltripyrrane: Synthesis and Photophysical Exploration.

K. Jose, S. Nandy, S. S. Hossain, 2021, The Journal of organic chemistry.

Fragment-Based Approaches for Supramolecular Interaction Energies: Applications to Foldamers and Their Complexes with Anions.

K. Raghavachari, K. Jose, Arkajyoti Sengupta, 2018, Journal of chemical theory and computation.

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

Claire S. Adjiman, Julio C. Facelli, Constantinos C. Pantelides, 2011, Acta crystallographica. Section B, Structural science.

An ab initio investigation on (CO2)n and CO2(Ar)m clusters: geometries and IR spectra.

K. Jose, S. Gadre, 2008, The Journal of chemical physics.

Vibrational Circular Dichroism Spectra for Large Molecules through Molecules-in-Molecules Fragment-Based Approach.

Krishnan Raghavachari, K. Raghavachari, K. Jose, 2015, Journal of chemical theory and computation.

Effect of matrix on IR frequencies of acetylene and acetylene-methanol complex: infrared matrix isolation and ab initio study.

K. Jose, K. Sundararajan, K. Viswanathan, 2007, The Journal of chemical physics.

Is there a hydrogen bond radius? Evidence from microwave spectroscopy, neutron scattering and X-ray diffraction results

K. Jose, E. Arunan, A. Samuelson, 2005 .

Meso-Free Boron(III)subchlorin and Its μ-Oxo Dimer with Interacting Chromophores.

K. Jose, Brijesh Chandra, R. Soman, 2020, Organic letters.

Cascading Effect of Large Molecular Motion in Crystals: A Topotactic Polymorphic Transition Paves the Way to Topochemical Polymerization.

K. Jose, K. M. Sureshan, C. Raju, 2023, Journal of the American Chemical Society.

An ab initio investigation on (CO2)n and CO2(Ar)m clusters: geometries and IR spectra.

K. Jose, S. Gadre, 2008, The Journal of chemical physics.