Ram K Roy

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Sourav PalE-mailová adresa ověřena na: splunk.com
Kimihiko HiraoKyoto UniversityE-mailová adresa ověřena na: kyoto-u.ac.jp
Soumen SahaAssistant Professor, Department of Chemistry, Triveni Devi Bhalotia College, Raniganj, PaschimE-mailová adresa ověřena na: tdbcollege.ac.in
Dr. Amrit SarmahResearch Scientist, RIKEN-Center for Computational Sciences, KOBE, JapanE-mailová adresa ověřena na: riken.jp
Sailaja KrishnamurtyNational Chemical Laboratory (CSIR-NCL)E-mailová adresa ověřena na: ncl.res.in
Inamur R LaskarBirla Institute of Technology and ScienceE-mailová adresa ověřena na: pilani.bits-pilani.ac.in
Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityE-mailová adresa ověřena na: chemistry.mcmaster.ca
Asit K ChandraProfessor of ChemistryE-mailová adresa ověřena na: nehu.ac.in
Bhisma K PatelProfessor of Chemistry, Indian Institute of Technology GuwahatiE-mailová adresa ověřena na: iitg.ac.in
Aabid HamidPost-Doctoral Fellow-NPDF at University of Kashmir, Hazratbal Srinagar, IndiaE-mailová adresa ověřena na: pilani.bits-pilani.ac.in
Rituparna BhattacharjeeScientist, Analytical Global R&D, Haleon (formerly GSK Consumer Healthcare)E-mailová adresa ověřena na: haleon.com
Chandan Mukherjee, IIT GuwahatiProfessorE-mailová adresa ověřena na: iitg.ac.in
Archana TiwariBanaras Hindu UniversityE-mailová adresa ověřena na: bhu.ac.in
Nayana VavalNational Chemical LaboratoryE-mailová adresa ověřena na: ncl.res.in
Rajdeep ChowdhuryProfessor, BITS-PilaniE-mailová adresa ověřena na: pilani.bits-pilani.ac.in
Parvej AlamThe Chinese University of Hong Kong, ShenzhenE-mailová adresa ověřena na: cuhk.edu.cn
SAMIR GHORAIShanghai Jiao Tong UniversityE-mailová adresa ověřena na: sjtu.edu.cn
SIVA MURRUAssociate Professor at University of Louisiana MonroeE-mailová adresa ověřena na: ulm.edu
Leena FageriaPh.D., Cancer Biology Group, Department of Biological Sciences, BITS-Pilani, Pilani CampusE-mailová adresa ověřena na: pilani.bits-pilani.ac.in
Dr Vishal kachwalPostodoc, Department of Engineering Science, Oxford UniveristyE-mailová adresa ověřena na: tohoku.ac.jp

Sledovat

Ram K Roy

Professor, Department of Chemistry, BITS-PILANI, PILANI, Rajasthan, India

E-mailová adresa ověřena na: pilani.bits-pilani.ac.in

Theoretical Chemistry Quantum Chemistry Computational Chemistry


Název Seřadit podle citací Seřadit podle roku Seřadit podle názvu	Citace Citace	Rok
Local softness and hardness based reactivity descriptors for predicting intra-and intermolecular reactivity sequences: carbonyl compounds RK Roy, S Krishnamurti, P Geerlings, S Pal The Journal of Physical Chemistry A 102 (21), 3746-3755, 1998	466	1998
On non-negativity of Fukui function indices RK Roy, S Pal, K Hirao The Journal of chemical physics 110 (17), 8236-8245, 1999	366	1999
Variational principles for describing chemical reactions: Condensed reactivity indices PW Ayers, RC Morrison, RK Roy The Journal of chemical physics 116 (20), 8731-8744, 2002	246	2002
Site of protonation in aniline and substituted anilines in the gas phase: a study via the local hard and soft acids and bases concept RK Roy, F de Proft, P Geerlings The Journal of Physical Chemistry A 102 (35), 7035-7040, 1998	161	1998
Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition? S Saha, RK Roy, PW Ayers International journal of quantum chemistry 109 (9), 1790-1806, 2009	154	2009
On non-negativity of Fukui function indices. II RK Roy, K Hirao, S Pal Journal of Chemical Physics 113 (4), 1372-1379, 2000	132	2000
Mulliken population analysis based evaluation of condensed Fukui function indices using fractional molecular charge RK Roy, K Hirao, S Krishnamurthy, S Pal Journal of chemical physics 115 (7), 2901-2907, 2001	124	2001
Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors RK Roy, S Saha Annual Reports Section" C"(Physical Chemistry) 106, 118-162, 2010	120	2010
Principle of maximum hardness: An accurate ab initio study S Pal, N Vaval, R Roy The Journal of Physical Chemistry 97 (17), 4404-4406, 1993	106	1993
Stockholders charge partitioning technique. A reliable electron population analysis scheme to predict intramolecular reactivity sequence RK Roy The Journal of Physical Chemistry A 107 (48), 10428-10434, 2003	75	2003
A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the rate-determining step of multi-step reactions P Bagaria, S Saha, S Murru, V Kavala, BK Patel, RK Roy Physical Chemistry Chemical Physics 11 (37), 8306-8315, 2009	71	2009
Exploring the hidden potential of a benzothiazole-based Schiff-base exhibiting AIE and ESIPT and its activity in pH sensing, intracellular imaging and ultrasensitive … V Kachwal, ISV Krishna, L Fageria, J Chaudhary, RK Roy, R Chowdhury, ... Analyst 143 (15), 3741-3748, 2018	69	2018
On the reliability of global and local electrophilicity descriptors RK Roy The Journal of Physical Chemistry A 108 (22), 4934-4939, 2004	69	2004
The local hard− soft acid− base principle: a critical study S Krishnamurty, RK Roy, R Vetrivel, S Iwata, S Pal The Journal of Physical Chemistry A 101 (39), 7253-7257, 1997	67	1997
Basicity of the framework oxygen atom of alkali and alkaline earth-exchanged zeolites: a hard–soft acid–base approach RC Deka, RK Roy, K Hirao Chemical Physics Letters 332 (5-6), 576-582, 2000	64	2000
CDASE—a reliable scheme to explain the reactivity sequence between Diels–Alder pairs S Saha, RK Roy, S Pal Physical Chemistry Chemical Physics 12 (32), 9328-9338, 2010	62	2010
Are the local electrophilicity descriptors reliable indicators of global electrophilicity trends? RK Roy, V Usha, J Paulovič, K Hirao The Journal of Physical Chemistry A 109 (20), 4601-4606, 2005	56	2005
Correlation of polarizability, hardness, and electronegativity: polyatomic molecules R Roy, AK Chandra, S Pal The Journal of Physical Chemistry 98 (41), 10447-10450, 1994	54	1994
Understanding the interaction of nucleobases with chiral semiconducting single-walled carbon nanotubes: an alternative theoretical approach based on density functional … A Sarmah, RK Roy The Journal of Physical Chemistry C 117 (41), 21539-21550, 2013	52	2013
On the complementarity of comprehensive decomposition analysis of stabilization energy (CDASE)–Scheme and supermolecular approach A Sarmah, S Saha, P Bagaria, RK Roy Chemical Physics 394 (1), 29-35, 2012	50	2012

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